2-(2-aminophenyl)benzene-1,3-diamine

C12H13N3 — CID 22068804

IUPAC2-(2-aminophenyl)benzene-1,3-diamine
SMILESNc1ccccc1-c1c(N)cccc1N
InChIInChI=1S/C12H13N3/c13-9-5-2-1-4-8(9)12-10(14)6-3-7-11(12)15/h1-7H,13-15H2
InChIKeyJBVUAXGQFSBRHN-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.10
Rot. Bonds1

About 2-(2-aminophenyl)benzene-1,3-diamine

2-(2-aminophenyl)benzene-1,3-diamine (PubChem CID 22068804) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-(2-aminophenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name2-(2-aminophenyl)benzene-1,3-diamine
PubChem CID22068804
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-(2-aminophenyl)benzene-1,3-diamine
SMILESNc1ccccc1-c1c(N)cccc1N
InChIInChI=1S/C12H13N3/c13-9-5-2-1-4-8(9)12-10(14)6-3-7-11(12)15/h1-7H,13-15H2
InChIKeyJBVUAXGQFSBRHN-UHFFFAOYSA-N
XLogP2.10
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.10
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 2-(2-aminophenyl)benzene-1,3-diamine?
The IUPAC name of 2-(2-aminophenyl)benzene-1,3-diamine (CID 22068804) is 2-(2-aminophenyl)benzene-1,3-diamine.
What is the SMILES notation for 2-(2-aminophenyl)benzene-1,3-diamine?
The canonical SMILES for 2-(2-aminophenyl)benzene-1,3-diamine is Nc1ccccc1-c1c(N)cccc1N.
What is the InChIKey of 2-(2-aminophenyl)benzene-1,3-diamine?
The InChIKey is JBVUAXGQFSBRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-9-5-2-1-4-8(9)12-10(14)6-3-7-11(12)15/h1-7H,13-15H2.
What are the key properties of 2-(2-aminophenyl)benzene-1,3-diamine?
2-(2-aminophenyl)benzene-1,3-diamine has a molecular weight of 199.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)benzene-1,3-diamine is sourced from PubChem (CID 22068804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).