N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine

C18H24N2 — CID 43098055

IUPACN'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine
SMILESCCN(CCC(N)c1ccccc1)c1ccccc1C
InChIInChI=1S/C18H24N2/c1-3-20(18-12-8-7-9-15(18)2)14-13-17(19)16-10-5-4-6-11-16/h4-12,17H,3,13-14,19H2,1-2H3
InChIKeyJYGYLVPFXLSPJI-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.91
Rot. Bonds6

About N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine

N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine (PubChem CID 43098055) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine
PubChem CID43098055
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine
SMILESCCN(CCC(N)c1ccccc1)c1ccccc1C
InChIInChI=1S/C18H24N2/c1-3-20(18-12-8-7-9-15(18)2)14-13-17(19)16-10-5-4-6-11-16/h4-12,17H,3,13-14,19H2,1-2H3
InChIKeyJYGYLVPFXLSPJI-UHFFFAOYSA-N
XLogP3.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-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

Desipramine
CID 2995
Imipramine
CID 3696
1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
Trimipramine
CID 5584
Imipramine Hydrochloride
CID 8228
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Desipramine Hydrochloride
CID 65327
Bamipine
CID 72075
Aprindine
CID 2218
Dibenz(b,f)azepine
CID 9212
2,2,4-Trimethyl-1,2-dihydroquinoline
CID 8981
N-ethyl-3-methylaniline
CID 7603

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine (CID 43098055) is N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine is CCN(CCC(N)c1ccccc1)c1ccccc1C.
What is the InChIKey of N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine?
The InChIKey is JYGYLVPFXLSPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-20(18-12-8-7-9-15(18)2)14-13-17(19)16-10-5-4-6-11-16/h4-12,17H,3,13-14,19H2,1-2H3.
What are the key properties of N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine?
N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 43098055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).