3-phenylbenzene-1,2-diamine

C12H12N2 — CID 18968019

IUPAC3-phenylbenzene-1,2-diamine
SMILESNc1cccc(-c2ccccc2)c1N
InChIInChI=1S/C12H12N2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8H,13-14H2
InChIKeyUDQLIWBWHVOIIF-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.52
Rot. Bonds1

About 3-phenylbenzene-1,2-diamine

3-phenylbenzene-1,2-diamine (PubChem CID 18968019) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-phenylbenzene-1,2-diamine
PubChem CID18968019
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name3-phenylbenzene-1,2-diamine
SMILESNc1cccc(-c2ccccc2)c1N
InChIInChI=1S/C12H12N2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8H,13-14H2
InChIKeyUDQLIWBWHVOIIF-UHFFFAOYSA-N
XLogP2.52
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.52
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 3-phenylbenzene-1,2-diamine?
The IUPAC name of 3-phenylbenzene-1,2-diamine (CID 18968019) is 3-phenylbenzene-1,2-diamine.
What is the SMILES notation for 3-phenylbenzene-1,2-diamine?
The canonical SMILES for 3-phenylbenzene-1,2-diamine is Nc1cccc(-c2ccccc2)c1N.
What is the InChIKey of 3-phenylbenzene-1,2-diamine?
The InChIKey is UDQLIWBWHVOIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8H,13-14H2.
What are the key properties of 3-phenylbenzene-1,2-diamine?
3-phenylbenzene-1,2-diamine has a molecular weight of 184.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbenzene-1,2-diamine is sourced from PubChem (CID 18968019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).