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

C13H14N2 — CID 2331656

IUPAC2-N-(4-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(Nc2ccccc2N)cc1
InChIInChI=1S/C13H14N2/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14/h2-9,15H,14H2,1H3
InChIKeyUUFIHEBXYDLWTO-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.32
Rot. Bonds2

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

2-N-(4-methylphenyl)benzene-1,2-diamine (PubChem CID 2331656) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-N-(4-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methylphenyl)benzene-1,2-diamine
PubChem CID2331656
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name2-N-(4-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(Nc2ccccc2N)cc1
InChIInChI=1S/C13H14N2/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14/h2-9,15H,14H2,1H3
InChIKeyUUFIHEBXYDLWTO-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.32
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 2-N-(4-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(4-methylphenyl)benzene-1,2-diamine (CID 2331656) is 2-N-(4-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(4-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(4-methylphenyl)benzene-1,2-diamine is Cc1ccc(Nc2ccccc2N)cc1.
What is the InChIKey of 2-N-(4-methylphenyl)benzene-1,2-diamine?
The InChIKey is UUFIHEBXYDLWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14/h2-9,15H,14H2,1H3.
What are the key properties of 2-N-(4-methylphenyl)benzene-1,2-diamine?
2-N-(4-methylphenyl)benzene-1,2-diamine has a molecular weight of 198.27 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 2331656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).