N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine

C17H21ClN2 — CID 54809835

IUPACN-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine
SMILESCc1ccc(Cl)cc1NCCNc1c(C)cccc1C
InChIInChI=1S/C17H21ClN2/c1-12-7-8-15(18)11-16(12)19-9-10-20-17-13(2)5-4-6-14(17)3/h4-8,11,19-20H,9-10H2,1-3H3
InChIKeyWGGAARZTTYBJQY-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.79
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine

N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine (PubChem CID 54809835) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine
PubChem CID54809835
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine
SMILESCc1ccc(Cl)cc1NCCNc1c(C)cccc1C
InChIInChI=1S/C17H21ClN2/c1-12-7-8-15(18)11-16(12)19-9-10-20-17-13(2)5-4-6-14(17)3/h4-8,11,19-20H,9-10H2,1-3H3
InChIKeyWGGAARZTTYBJQY-UHFFFAOYSA-N
XLogP4.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-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

5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
CID 29273451
5-chloro-N-(3,3-dimethylbutyl)-2-methylaniline
CID 63420169
N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035917
N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28562912
2-(5-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2649472
N'-butan-2-yl-N-(5-chloro-2-methylphenyl)ethane-1,2-diamine
CID 54808537
5-chloro-2-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54798398
5-chloro-N-(2-ethylsulfanylethyl)-2-methylaniline
CID 115881982
3-(5-chloro-2-methylanilino)propanenitrile
CID 39239305
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035866
5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 28553559
3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038491

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine (CID 54809835) is N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine is Cc1ccc(Cl)cc1NCCNc1c(C)cccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is WGGAARZTTYBJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-12-7-8-15(18)11-16(12)19-9-10-20-17-13(2)5-4-6-14(17)3/h4-8,11,19-20H,9-10H2,1-3H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine?
N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 288.82 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54809835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).