4-phenylnaphthalen-1-amine

C16H13N — CID 13087227

IUPAC4-phenylnaphthalen-1-amine
SMILESNc1ccc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C16H13N/c17-16-11-10-13(12-6-2-1-3-7-12)14-8-4-5-9-15(14)16/h1-11H,17H2
InChIKeyHPNTZCAYLSSXRP-UHFFFAOYSA-N
MW219.29 g/mol
LogP4.09
Rot. Bonds1

About 4-phenylnaphthalen-1-amine

4-phenylnaphthalen-1-amine (PubChem CID 13087227) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name4-phenylnaphthalen-1-amine
PubChem CID13087227
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name4-phenylnaphthalen-1-amine
SMILESNc1ccc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C16H13N/c17-16-11-10-13(12-6-2-1-3-7-12)14-8-4-5-9-15(14)16/h1-11H,17H2
InChIKeyHPNTZCAYLSSXRP-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-phenylnaphthalen-1-amine?
The IUPAC name of 4-phenylnaphthalen-1-amine (CID 13087227) is 4-phenylnaphthalen-1-amine.
What is the SMILES notation for 4-phenylnaphthalen-1-amine?
The canonical SMILES for 4-phenylnaphthalen-1-amine is Nc1ccc(-c2ccccc2)c2ccccc12.
What is the InChIKey of 4-phenylnaphthalen-1-amine?
The InChIKey is HPNTZCAYLSSXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c17-16-11-10-13(12-6-2-1-3-7-12)14-8-4-5-9-15(14)16/h1-11H,17H2.
What are the key properties of 4-phenylnaphthalen-1-amine?
4-phenylnaphthalen-1-amine has a molecular weight of 219.29 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylnaphthalen-1-amine is sourced from PubChem (CID 13087227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).