4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine

C14H15ClN2 — CID 43436245

IUPAC4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(Nc2ccc(C)c(Cl)c2)ccc1N
InChIInChI=1S/C14H15ClN2/c1-9-3-4-12(8-13(9)15)17-11-5-6-14(16)10(2)7-11/h3-8,17H,16H2,1-2H3
InChIKeyACVXQMBWOMCYPX-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.28
Rot. Bonds2

About 4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine

4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine (PubChem CID 43436245) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine
PubChem CID43436245
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(Nc2ccc(C)c(Cl)c2)ccc1N
InChIInChI=1S/C14H15ClN2/c1-9-3-4-12(8-13(9)15)17-11-5-6-14(16)10(2)7-11/h3-8,17H,16H2,1-2H3
InChIKeyACVXQMBWOMCYPX-UHFFFAOYSA-N
XLogP4.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.28
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

1-N-(3-chloro-4-methylphenyl)-4-fluorobenzene-1,2-diamine
CID 29066317
2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine
CID 83266608
4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine
CID 29066314
2-N-(3-chloro-4-methylphenyl)-4H-imidazole-2,5-diamine
CID 149034887
4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine
CID 43436257
2-N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-2,4-diamine
CID 79890696
2-amino-5-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 28517056
4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43436308
2-methyl-4-N-(4-methylsulfanylphenyl)benzene-1,4-diamine
CID 43436265
4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436240
4-N-(3-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436300
methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate
CID 114404980

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine (CID 43436245) is 4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine is Cc1cc(Nc2ccc(C)c(Cl)c2)ccc1N.
What is the InChIKey of 4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine?
The InChIKey is ACVXQMBWOMCYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-9-3-4-12(8-13(9)15)17-11-5-6-14(16)10(2)7-11/h3-8,17H,16H2,1-2H3.
What are the key properties of 4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine?
4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine has a molecular weight of 246.74 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 43436245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).