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

C14H15ClN2 — CID 154647622

IUPAC5-chloro-2-methyl-3-N-(2-methylphenyl)benzene-1,3-diamine
SMILESCc1ccccc1Nc1cc(Cl)cc(N)c1C
InChIInChI=1S/C14H15ClN2/c1-9-5-3-4-6-13(9)17-14-8-11(15)7-12(16)10(14)2/h3-8,17H,16H2,1-2H3
InChIKeyBKOMZWAWAWQEKK-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.28
Rot. Bonds2

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

5-chloro-2-methyl-3-N-(2-methylphenyl)benzene-1,3-diamine (PubChem CID 154647622) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-N-(2-methylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-chloro-2-methyl-3-N-(2-methylphenyl)benzene-1,3-diamine
PubChem CID154647622
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name5-chloro-2-methyl-3-N-(2-methylphenyl)benzene-1,3-diamine
SMILESCc1ccccc1Nc1cc(Cl)cc(N)c1C
InChIInChI=1S/C14H15ClN2/c1-9-5-3-4-6-13(9)17-14-8-11(15)7-12(16)10(14)2/h3-8,17H,16H2,1-2H3
InChIKeyBKOMZWAWAWQEKK-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-N-(2-methylphenyl)benzene-1,3-diamine?
The IUPAC name of 5-chloro-2-methyl-3-N-(2-methylphenyl)benzene-1,3-diamine (CID 154647622) is 5-chloro-2-methyl-3-N-(2-methylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-chloro-2-methyl-3-N-(2-methylphenyl)benzene-1,3-diamine?
The canonical SMILES for 5-chloro-2-methyl-3-N-(2-methylphenyl)benzene-1,3-diamine is Cc1ccccc1Nc1cc(Cl)cc(N)c1C.
What is the InChIKey of 5-chloro-2-methyl-3-N-(2-methylphenyl)benzene-1,3-diamine?
The InChIKey is BKOMZWAWAWQEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-9-5-3-4-6-13(9)17-14-8-11(15)7-12(16)10(14)2/h3-8,17H,16H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-3-N-(2-methylphenyl)benzene-1,3-diamine?
5-chloro-2-methyl-3-N-(2-methylphenyl)benzene-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 5-chloro-2-methyl-3-N-(2-methylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 154647622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).