4-(4-amino-3-methylphenyl)benzene-1,3-diamine

C13H15N3 — CID 22061960

IUPAC4-(4-amino-3-methylphenyl)benzene-1,3-diamine
SMILESCc1cc(-c2ccc(N)cc2N)ccc1N
InChIInChI=1S/C13H15N3/c1-8-6-9(2-5-12(8)15)11-4-3-10(14)7-13(11)16/h2-7H,14-16H2,1H3
InChIKeyPDJWVJIWLBUKEB-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.41
Rot. Bonds1

About 4-(4-amino-3-methylphenyl)benzene-1,3-diamine

4-(4-amino-3-methylphenyl)benzene-1,3-diamine (PubChem CID 22061960) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(4-amino-3-methylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-(4-amino-3-methylphenyl)benzene-1,3-diamine
PubChem CID22061960
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-(4-amino-3-methylphenyl)benzene-1,3-diamine
SMILESCc1cc(-c2ccc(N)cc2N)ccc1N
InChIInChI=1S/C13H15N3/c1-8-6-9(2-5-12(8)15)11-4-3-10(14)7-13(11)16/h2-7H,14-16H2,1H3
InChIKeyPDJWVJIWLBUKEB-UHFFFAOYSA-N
XLogP2.41
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylphenyl)benzene-1,3-diamine?
The IUPAC name of 4-(4-amino-3-methylphenyl)benzene-1,3-diamine (CID 22061960) is 4-(4-amino-3-methylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 4-(4-amino-3-methylphenyl)benzene-1,3-diamine?
The canonical SMILES for 4-(4-amino-3-methylphenyl)benzene-1,3-diamine is Cc1cc(-c2ccc(N)cc2N)ccc1N.
What is the InChIKey of 4-(4-amino-3-methylphenyl)benzene-1,3-diamine?
The InChIKey is PDJWVJIWLBUKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-8-6-9(2-5-12(8)15)11-4-3-10(14)7-13(11)16/h2-7H,14-16H2,1H3.
What are the key properties of 4-(4-amino-3-methylphenyl)benzene-1,3-diamine?
4-(4-amino-3-methylphenyl)benzene-1,3-diamine has a molecular weight of 213.28 g/mol, XLogP of 2.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 22061960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).