N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine

C11H17ClN2 — CID 28562912

IUPACN-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1ccc(Cl)cc1NCCN(C)C
InChIInChI=1S/C11H17ClN2/c1-9-4-5-10(12)8-11(9)13-6-7-14(2)3/h4-5,8,13H,6-7H2,1-3H3
InChIKeyWULAKLRXAXFBPL-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.62
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine

N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 28562912) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID28562912
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1ccc(Cl)cc1NCCN(C)C
InChIInChI=1S/C11H17ClN2/c1-9-4-5-10(12)8-11(9)13-6-7-14(2)3/h4-5,8,13H,6-7H2,1-3H3
InChIKeyWULAKLRXAXFBPL-UHFFFAOYSA-N
XLogP2.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-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

N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28585840
N-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 54810001
N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28582966
N-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 130497985
5-chloro-N-(3,3-dimethylbutyl)-2-methylaniline
CID 63420169
3-(5-chloro-2-methylanilino)propanenitrile
CID 39239305
N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine
CID 54809835
5-chloro-N-(2-ethylsulfanylethyl)-2-methylaniline
CID 115881982
N-(2-fluoro-5-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28877671
5-chloro-2-[2-(dimethylamino)ethylamino]benzenecarbothioamide
CID 62493997
3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016265
3-(5-chloro-2-methylanilino)propanethioamide
CID 82081464

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine (CID 28562912) is N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine is Cc1ccc(Cl)cc1NCCN(C)C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is WULAKLRXAXFBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-9-4-5-10(12)8-11(9)13-6-7-14(2)3/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 212.72 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 28562912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).