1.0 2016-05-22 05:53:06 UTC 2026-05-14 19:02:03 UTC Amorolfine SmallMolecule Amorolfine is an organic compound with the formula C21H35NO and an average molecular weight of 317.52 g/mol. Amorolfine belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. This compound has been recorded as being found in or released from electrical and electronic equipment, specifically electrically stimulated smoking devices. In terms of biological activity, Amorolfine interacts with three recorded protein targets. It acts as a blocker or inhibitor of Sodium channel protein type 7 subunit alpha (SCN7A) and targets Delta(14)-sterol reductase ERG24 and C-8 sterol isomerase ERG2. C21H35NO 317.517 317.271864751 (2R,6S)-2,6-dimethyl-4-(2-{[4-(2-methylbutan-2-yl)phenyl]methyl}propyl)morpholine (2R,6S)-2,6-dimethyl-4-(2-{[4-(2-methylbutan-2-yl)phenyl]methyl}propyl)morpholine 78613-35-1 [H]C(C)(CN1C[C@]([H])(C)O[C@]([H])(C)C1)CC1=CC=C(C=C1)C(C)(C)CC InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3/t16?,17-,18+ MQHLMHIZUIDKOO-AYHJJNSGSA-N Organic compounds Benzenoids Benzene and substituted derivatives Phenylpropanes Phenylpropanes Aralkylamines Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Morpholines Organopnictogen compounds Oxacyclic compounds Trialkylamines Amine Aralkylamine Aromatic heteromonocyclic compound Azacycle Dialkyl ether Ether Hydrocarbon derivative Morpholine Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxazinane Phenylpropane Tertiary aliphatic amine Tertiary amine Aromatic heteromonocyclic compounds morpholine antifungal drug tertiary amino compound Detected and Not Quantified Amorolfine Drug Metabolism Action Pathway SMP0144274 logp 5.62 logp 5.44 ALOGPS logs -5.61 ALOGPS solubility 7.85e-04 g/l ALOGPS logp 5.62 ChemAxon pka_strongest_basic 8.49 ChemAxon iupac (2R,6S)-2,6-dimethyl-4-(2-{[4-(2-methylbutan-2-yl)phenyl]methyl}propyl)morpholine ChemAxon average_mass 317.517 ChemAxon mono_mass 317.271864751 ChemAxon smiles [H]C(C)(CN1C[C@]([H])(C)O[C@]([H])(C)C1)CC1=CC=C(C=C1)C(C)(C)CC ChemAxon formula C21H35NO ChemAxon inchi InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3/t16?,17-,18+ ChemAxon inchikey MQHLMHIZUIDKOO-AYHJJNSGSA-N ChemAxon polar_surface_area 12.47 ChemAxon refractivity 99.61 ChemAxon polarizability 40.23 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226005150> DB09056 54260 49010 BE0004901 BE0027701 BE0027702