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

C13H13ClN2 — CID 43148771

IUPAC2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine
SMILESCc1ccc(Nc2ccc(N)cc2Cl)cc1
InChIInChI=1S/C13H13ClN2/c1-9-2-5-11(6-3-9)16-13-7-4-10(15)8-12(13)14/h2-8,16H,15H2,1H3
InChIKeyFJYJUJAUDBGXJH-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.97
Rot. Bonds2

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

2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine (PubChem CID 43148771) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine
PubChem CID43148771
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine
SMILESCc1ccc(Nc2ccc(N)cc2Cl)cc1
InChIInChI=1S/C13H13ClN2/c1-9-2-5-11(6-3-9)16-13-7-4-10(15)8-12(13)14/h2-8,16H,15H2,1H3
InChIKeyFJYJUJAUDBGXJH-UHFFFAOYSA-N
XLogP3.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.97
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-[4-(4-amino-2-chloroanilino)phenyl]ethanone
CID 82302045
1-N-[4-[3-[4-(4-amino-2-chloroanilino)phenyl]propyl]phenyl]-2-chlorobenzene-1,4-diamine
CID 90006139
3-chloro-4-(4-methylanilino)benzenecarbothioamide
CID 63086941
2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 62329507
4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine
CID 29080218
2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 62867858
1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
2-N-(4-aminophenyl)-4-methylbenzene-1,2-diamine;dihydrochloride
CID 70626485
4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine
CID 115468574
1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone
CID 104612316
3-N-(2-chloro-4-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 80723730
2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine
CID 22417903

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine (CID 43148771) is 2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine is Cc1ccc(Nc2ccc(N)cc2Cl)cc1.
What is the InChIKey of 2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine?
The InChIKey is FJYJUJAUDBGXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-9-2-5-11(6-3-9)16-13-7-4-10(15)8-12(13)14/h2-8,16H,15H2,1H3.
What are the key properties of 2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine?
2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine has a molecular weight of 232.71 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 43148771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).