Details of the Drug

General Information of Drug (ID: DMT81N3)

Drug Name

1-(4-(benzyloxy)phenyl)propan-2-amine

Synonyms

4-Benzyloxyamphetamine; 1-(4-phenylmethoxyphenyl)propan-2-amine; CHEMBL456013; 7176-39-8; ZDZASCUBDMUTSR-UHFFFAOYSA-N; p-benzyloxyamphetamine; 1-(4-(benzyloxy)phenyl)propan-2-amine; Phenethylamine, p-(benzyloxy)-alpha-methyl-; alpha-Methyl-4-(phenylmethoxy)benzeneethanamine; AC1L34WV; Benzeneethanamine, alpha-methyl-4-(phenylmethoxy)-; SCHEMBL2750286; AC1Q56Y9; CTK2H7369; BDBM50276775; AKOS022489255; AKOS000152896; 1-(4-phenylmethoxyphenyl)-2-propanamine; 1-Methyl-2-(4-benzyloxyphenyl)ethanamine

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

241.33

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C16H19NO
IUPAC Name: 1-(4-phenylmethoxyphenyl)propan-2-amine
Canonical SMILES: CC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)N
InChI: InChI=1S/C16H19NO/c1-13(17)11-14-7-9-16(10-8-14)18-12-15-5-3-2-4-6-15/h2-10,13H,11-12,17H2,1H3
InChIKey: ZDZASCUBDMUTSR-UHFFFAOYSA-N