4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine

C15H17ClN2 — CID 163370554

IUPAC4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine
SMILESCc1ccc(C)c(Nc2cc(N)c(Cl)cc2C)c1
InChIInChI=1S/C15H17ClN2/c1-9-4-5-10(2)14(6-9)18-15-8-13(17)12(16)7-11(15)3/h4-8,18H,17H2,1-3H3
InChIKeyVQBYAEJFAJENPG-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.59
Rot. Bonds2

About 4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine

4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine (PubChem CID 163370554) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine
PubChem CID163370554
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine
SMILESCc1ccc(C)c(Nc2cc(N)c(Cl)cc2C)c1
InChIInChI=1S/C15H17ClN2/c1-9-4-5-10(2)14(6-9)18-15-8-13(17)12(16)7-11(15)3/h4-8,18H,17H2,1-3H3
InChIKeyVQBYAEJFAJENPG-UHFFFAOYSA-N
XLogP4.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.59
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

2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554524
2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554504
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554521
4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine
CID 115554624
1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine
CID 57130016
1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine
CID 29067161
5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552595
4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine
CID 115126227
2-chloro-4-methylaniline
CID 12007
4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067539
6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine
CID 114070533

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine?
The IUPAC name of 4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine (CID 163370554) is 4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine.
What is the SMILES notation for 4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine?
The canonical SMILES for 4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine is Cc1ccc(C)c(Nc2cc(N)c(Cl)cc2C)c1.
What is the InChIKey of 4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine?
The InChIKey is VQBYAEJFAJENPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-9-4-5-10(2)14(6-9)18-15-8-13(17)12(16)7-11(15)3/h4-8,18H,17H2,1-3H3.
What are the key properties of 4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine?
4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine has a molecular weight of 260.77 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine is sourced from PubChem (CID 163370554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).