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

C14H15ClN2 — CID 66253174

IUPAC3-N-(2-chloro-6-methylphenyl)-4-methylbenzene-1,3-diamine
SMILESCc1ccc(N)cc1Nc1c(C)cccc1Cl
InChIInChI=1S/C14H15ClN2/c1-9-6-7-11(16)8-13(9)17-14-10(2)4-3-5-12(14)15/h3-8,17H,16H2,1-2H3
InChIKeyBRQZJMQMYKYGMH-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.28
Rot. Bonds2

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

3-N-(2-chloro-6-methylphenyl)-4-methylbenzene-1,3-diamine (PubChem CID 66253174) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-N-(2-chloro-6-methylphenyl)-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-chloro-6-methylphenyl)-4-methylbenzene-1,3-diamine
PubChem CID66253174
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name3-N-(2-chloro-6-methylphenyl)-4-methylbenzene-1,3-diamine
SMILESCc1ccc(N)cc1Nc1c(C)cccc1Cl
InChIInChI=1S/C14H15ClN2/c1-9-6-7-11(16)8-13(9)17-14-10(2)4-3-5-12(14)15/h3-8,17H,16H2,1-2H3
InChIKeyBRQZJMQMYKYGMH-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-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 66253555
4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine
CID 115469101
2-(5-amino-2-chloroanilino)-3-methylbenzonitrile
CID 107111345
2-N-(2-chloro-6-methylphenyl)-1,3-benzoxazole-2,5-diamine
CID 79890897
3-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzene-1,3-diamine
CID 107571479
1-N-(2-chloro-6-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 66253362
3-chloro-2-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 66479323
4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 62588854
4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide
CID 82898871
N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide
CID 43605236
1-N-(2,6-dichlorophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 65469470
9-(5-amino-2-methylanilino)-5-methylacridine-4-carboxylic acid
CID 87747349

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-chloro-6-methylphenyl)-4-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2-chloro-6-methylphenyl)-4-methylbenzene-1,3-diamine (CID 66253174) is 3-N-(2-chloro-6-methylphenyl)-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-chloro-6-methylphenyl)-4-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-chloro-6-methylphenyl)-4-methylbenzene-1,3-diamine is Cc1ccc(N)cc1Nc1c(C)cccc1Cl.
What is the InChIKey of 3-N-(2-chloro-6-methylphenyl)-4-methylbenzene-1,3-diamine?
The InChIKey is BRQZJMQMYKYGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-9-6-7-11(16)8-13(9)17-14-10(2)4-3-5-12(14)15/h3-8,17H,16H2,1-2H3.
What are the key properties of 3-N-(2-chloro-6-methylphenyl)-4-methylbenzene-1,3-diamine?
3-N-(2-chloro-6-methylphenyl)-4-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-(2-chloro-6-methylphenyl)-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 66253174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).