3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine

C14H15ClN2 — CID 112647073

IUPAC3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C14H15ClN2/c1-9-5-12(16)8-13(6-9)17-14-7-11(15)4-3-10(14)2/h3-8,17H,16H2,1-2H3
InChIKeyOGSVVINTOYRUGV-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.28
Rot. Bonds2

About 3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine

3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine (PubChem CID 112647073) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine
PubChem CID112647073
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C14H15ClN2/c1-9-5-12(16)8-13(6-9)17-14-7-11(15)4-3-10(14)2/h3-8,17H,16H2,1-2H3
InChIKeyOGSVVINTOYRUGV-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

3-N-(2-chloro-4-fluorophenyl)-5-methylbenzene-1,3-diamine
CID 112647082
4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067539
3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112647070
1-N-(5-chloro-2-methylphenyl)benzene-1,2,4-triamine
CID 54794972
3-amino-N-(5-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256500
5-N-(5-chloro-2-methylphenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963575
3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112648174
2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554524
4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232941
4-bromo-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067533
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
3-bromo-5-(5-chloro-2-methylanilino)benzonitrile
CID 102815186

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine (CID 112647073) is 3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine is Cc1cc(N)cc(Nc2cc(Cl)ccc2C)c1.
What is the InChIKey of 3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine?
The InChIKey is OGSVVINTOYRUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-9-5-12(16)8-13(6-9)17-14-7-11(15)4-3-10(14)2/h3-8,17H,16H2,1-2H3.
What are the key properties of 3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine?
3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-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 3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 112647073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).