5-phenylnaphthalen-2-amine

C16H13N — CID 66729016

IUPAC5-phenylnaphthalen-2-amine
SMILESNc1ccc2c(-c3ccccc3)cccc2c1
InChIInChI=1S/C16H13N/c17-14-9-10-16-13(11-14)7-4-8-15(16)12-5-2-1-3-6-12/h1-11H,17H2
InChIKeyUFTVMBIIDZCELM-UHFFFAOYSA-N
MW219.29 g/mol
LogP4.09
Rot. Bonds1

About 5-phenylnaphthalen-2-amine

5-phenylnaphthalen-2-amine (PubChem CID 66729016) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name5-phenylnaphthalen-2-amine
PubChem CID66729016
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name5-phenylnaphthalen-2-amine
SMILESNc1ccc2c(-c3ccccc3)cccc2c1
InChIInChI=1S/C16H13N/c17-14-9-10-16-13(11-14)7-4-8-15(16)12-5-2-1-3-6-12/h1-11H,17H2
InChIKeyUFTVMBIIDZCELM-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 5-phenylnaphthalen-2-amine?
The IUPAC name of 5-phenylnaphthalen-2-amine (CID 66729016) is 5-phenylnaphthalen-2-amine.
What is the SMILES notation for 5-phenylnaphthalen-2-amine?
The canonical SMILES for 5-phenylnaphthalen-2-amine is Nc1ccc2c(-c3ccccc3)cccc2c1.
What is the InChIKey of 5-phenylnaphthalen-2-amine?
The InChIKey is UFTVMBIIDZCELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c17-14-9-10-16-13(11-14)7-4-8-15(16)12-5-2-1-3-6-12/h1-11H,17H2.
What are the key properties of 5-phenylnaphthalen-2-amine?
5-phenylnaphthalen-2-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 5-phenylnaphthalen-2-amine is sourced from PubChem (CID 66729016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).