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

C13H12Cl2N2 — CID 115468574

IUPAC4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(Nc2cc(Cl)ccc2N)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2/c1-8-2-5-12(10(15)6-8)17-13-7-9(14)3-4-11(13)16/h2-7,17H,16H2,1H3
InChIKeyOEEORTFBPIHFBE-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.63
Rot. Bonds2

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

4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine (PubChem CID 115468574) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine
PubChem CID115468574
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(Nc2cc(Cl)ccc2N)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2/c1-8-2-5-12(10(15)6-8)17-13-7-9(14)3-4-11(13)16/h2-7,17H,16H2,1H3
InChIKeyOEEORTFBPIHFBE-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-chloro-2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 115468556
4-bromo-2-N-(2,4-dichlorophenyl)benzene-1,2-diamine
CID 65343558
N-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline
CID 70949628
1-N-(4-bromo-2-chlorophenyl)-4-methylbenzene-1,2-diamine
CID 43349543
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
2-amino-5-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967454
4-chloro-2-N-(2,3,4-trifluorophenyl)benzene-1,2-diamine
CID 113315585
4-chloro-2-N-(2,3-dimethylphenyl)benzene-1,2-diamine
CID 113315599
4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
2-chloro-4-methylaniline
CID 12007
2-amino-6-(2-chloro-4-methylanilino)-3-fluorobenzoic acid
CID 83215891
4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine
CID 115469101

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine (CID 115468574) is 4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine is Cc1ccc(Nc2cc(Cl)ccc2N)c(Cl)c1.
What is the InChIKey of 4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine?
The InChIKey is OEEORTFBPIHFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-8-2-5-12(10(15)6-8)17-13-7-9(14)3-4-11(13)16/h2-7,17H,16H2,1H3.
What are the key properties of 4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine?
4-chloro-2-N-(2-chloro-4-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-4-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 115468574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).