1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine

C18H23ClN2 — CID 63494077

IUPAC1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
SMILESCNC(CCN(C)c1ccccc1C)c1ccccc1Cl
InChIInChI=1S/C18H23ClN2/c1-14-8-4-7-11-18(14)21(3)13-12-17(20-2)15-9-5-6-10-16(15)19/h4-11,17,20H,12-13H2,1-3H3
InChIKeyKFNZAZWHHUNDRV-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.44
Rot. Bonds6

About 1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine

1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine (PubChem CID 63494077) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
PubChem CID63494077
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
SMILESCNC(CCN(C)c1ccccc1C)c1ccccc1Cl
InChIInChI=1S/C18H23ClN2/c1-14-8-4-7-11-18(14)21(3)13-12-17(20-2)15-9-5-6-10-16(15)19/h4-11,17,20H,12-13H2,1-3H3
InChIKeyKFNZAZWHHUNDRV-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-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

1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 62643934
1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine
CID 55099013
1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154
1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62645335
1-(2-chlorophenyl)-N'-cyclopropyl-N'-ethyl-N-methylpropane-1,3-diamine
CID 62644980
4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol
CID 64791335
1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine
CID 61412300
3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol
CID 62644404
N,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine
CID 62628726
1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 114079767
1-(2-chlorophenyl)-N-methylbut-3-yn-1-amine
CID 62233713
1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62643328

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine (CID 63494077) is 1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine is CNC(CCN(C)c1ccccc1C)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine?
The InChIKey is KFNZAZWHHUNDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-14-8-4-7-11-18(14)21(3)13-12-17(20-2)15-9-5-6-10-16(15)19/h4-11,17,20H,12-13H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine?
1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine has a molecular weight of 302.85 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 63494077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).