5-phenylnaphthalene-2,3-diamine

C16H14N2 — CID 70378591

IUPAC5-phenylnaphthalene-2,3-diamine
SMILESNc1cc2cccc(-c3ccccc3)c2cc1N
InChIInChI=1S/C16H14N2/c17-15-9-12-7-4-8-13(14(12)10-16(15)18)11-5-2-1-3-6-11/h1-10H,17-18H2
InChIKeyAWCYWYXYGCNCMP-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.67
Rot. Bonds1

About 5-phenylnaphthalene-2,3-diamine

5-phenylnaphthalene-2,3-diamine (PubChem CID 70378591) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-phenylnaphthalene-2,3-diamine.

Molecular Properties

Compound Name5-phenylnaphthalene-2,3-diamine
PubChem CID70378591
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name5-phenylnaphthalene-2,3-diamine
SMILESNc1cc2cccc(-c3ccccc3)c2cc1N
InChIInChI=1S/C16H14N2/c17-15-9-12-7-4-8-13(14(12)10-16(15)18)11-5-2-1-3-6-11/h1-10H,17-18H2
InChIKeyAWCYWYXYGCNCMP-UHFFFAOYSA-N
XLogP3.67
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.67
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-phenylnaphthalene-2,3-diamine?
The IUPAC name of 5-phenylnaphthalene-2,3-diamine (CID 70378591) is 5-phenylnaphthalene-2,3-diamine.
What is the SMILES notation for 5-phenylnaphthalene-2,3-diamine?
The canonical SMILES for 5-phenylnaphthalene-2,3-diamine is Nc1cc2cccc(-c3ccccc3)c2cc1N.
What is the InChIKey of 5-phenylnaphthalene-2,3-diamine?
The InChIKey is AWCYWYXYGCNCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c17-15-9-12-7-4-8-13(14(12)10-16(15)18)11-5-2-1-3-6-11/h1-10H,17-18H2.
What are the key properties of 5-phenylnaphthalene-2,3-diamine?
5-phenylnaphthalene-2,3-diamine has a molecular weight of 234.30 g/mol, XLogP of 3.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylnaphthalene-2,3-diamine is sourced from PubChem (CID 70378591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).