4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine

C13H12Cl2N2 — CID 115469101

IUPAC4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine
SMILESCc1cccc(Cl)c1Nc1cc(Cl)ccc1N
InChIInChI=1S/C13H12Cl2N2/c1-8-3-2-4-10(15)13(8)17-12-7-9(14)5-6-11(12)16/h2-7,17H,16H2,1H3
InChIKeyREUNKKQFQIKLHT-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.63
Rot. Bonds2

About 4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine

4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine (PubChem CID 115469101) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine
PubChem CID115469101
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine
SMILESCc1cccc(Cl)c1Nc1cc(Cl)ccc1N
InChIInChI=1S/C13H12Cl2N2/c1-8-3-2-4-10(15)13(8)17-12-7-9(14)5-6-11(12)16/h2-7,17H,16H2,1H3
InChIKeyREUNKKQFQIKLHT-UHFFFAOYSA-N
XLogP4.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide
CID 82898871
4-chloro-2-N-(2,3-dimethylphenyl)benzene-1,2-diamine
CID 113315599
3-N-(2-chloro-6-methylphenyl)-4-methylbenzene-1,3-diamine
CID 66253174
N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline
CID 57056849
1-N-(2-chloro-6-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 66253362
4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine
CID 115468574
4-chloro-2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 115468556
4-chloro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 113315750
1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 66253555
4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine
CID 115468524
4-chloro-2-(2,6-dimethylanilino)benzoic acid
CID 14550445

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine (CID 115469101) is 4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine is Cc1cccc(Cl)c1Nc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine?
The InChIKey is REUNKKQFQIKLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-8-3-2-4-10(15)13(8)17-12-7-9(14)5-6-11(12)16/h2-7,17H,16H2,1H3.
What are the key properties of 4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine?
4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine has a molecular weight of 267.16 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 115469101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).