Details of the Drug

General Information of Drug (ID: DMR9YL6)

Drug Name
Etilamfetamine
Synonyms
Apetinil; Ethylamphetamine; Etilamfetamina [INN-Spanish]; Etilamfetamine; Etilamfetamine (INN); Etilamfetamine [INN]; Etilamfetaminum [INN-Latin]; Etilamfetaminum [Latin]; Etilanfetamina [Spanish]; N-Ethylamphetamine; N-ethyl-1-phenylpropan-2-amine; 1-Phenyl-2-aethylamino-propan; 1-Phenyl-2-aethylamino-propan [German]; 1-Phenyl-2-ethylaminopropane; 457-87-4; BRN 2357701; Benzeneethanamine, N-ethyl-.alpha.-methyl-; DEA No. 1475; N-Ethyl-alpha-methylphenethylamine; alpha-Phenyl-beta-ethylaminopropane
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 163.26
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C11H17N
IUPAC Name
N-ethyl-1-phenylpropan-2-amine
Canonical SMILES
CCNC(C)CC1=CC=CC=C1
InChI
YAGBSNMZQKEFCO-UHFFFAOYSA-N
InChIKey
1S/C11H17N/c1-3-12-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
Cross-matching ID
PubChem CID
9982
ChEBI ID
CHEBI:134796
CAS Number
457-87-4
DrugBank ID
DB13285
INTEDE ID
DR0664

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2D6 (CYP2D6)
Main DME 		DECB0K3 CP2D6_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Involvement of CYP2D6 in the in vitro metabolism of amphetamine, two N-alkylamphetamines and their 4-methoxylated derivatives. Xenobiotica. 1999 Jul;29(7):719-32.