N'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine

C17H22N2 — CID 13751

💊View drug profile → phenbenzamine
IUPACN'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H22N2/c1-18(2)13-14-19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-12H,13-15H2,1-2H3
InChIKeyCHOBRHHOYQKCOU-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.25
Rot. Bonds6

About N'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine

N'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine (PubChem CID 13751) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine
PubChem CID13751
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H22N2/c1-18(2)13-14-19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-12H,13-15H2,1-2H3
InChIKeyCHOBRHHOYQKCOU-UHFFFAOYSA-N
XLogP3.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Imipramine
CID 3696
Mianserin
CID 4184
Dimethyl-p-toluidine
CID 7471
Trimipramine
CID 5584
Leucomalachite green
CID 67215
Imipramine Hydrochloride
CID 8228
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Bamipine
CID 72075
Leucocrystal Violet
CID 69048
Aprindine
CID 2218
Mianserin Hydrochloride
CID 68551
Gentian violet cation
CID 3468

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine (CID 13751) is N'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine is CN(C)CCN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine?
The InChIKey is CHOBRHHOYQKCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-18(2)13-14-19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-12H,13-15H2,1-2H3.
What are the key properties of N'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine?
N'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 13751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).