5-(4-fluorophenyl)naphthalen-1-amine

C16H12FN — CID 172677714

IUPAC5-(4-fluorophenyl)naphthalen-1-amine
SMILESNc1cccc2c(-c3ccc(F)cc3)cccc12
InChIInChI=1S/C16H12FN/c17-12-9-7-11(8-10-12)13-3-1-5-15-14(13)4-2-6-16(15)18/h1-10H,18H2
InChIKeyOHCCCUYYHUPVQW-UHFFFAOYSA-N
MW237.28 g/mol
LogP4.23
Rot. Bonds1

About 5-(4-fluorophenyl)naphthalen-1-amine

5-(4-fluorophenyl)naphthalen-1-amine (PubChem CID 172677714) has the molecular formula C16H12FN and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)naphthalen-1-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)naphthalen-1-amine
PubChem CID172677714
Molecular FormulaC16H12FN
Molecular Weight237.28 g/mol
Exact Mass237.10
IUPAC Name5-(4-fluorophenyl)naphthalen-1-amine
SMILESNc1cccc2c(-c3ccc(F)cc3)cccc12
InChIInChI=1S/C16H12FN/c17-12-9-7-11(8-10-12)13-3-1-5-15-14(13)4-2-6-16(15)18/h1-10H,18H2
InChIKeyOHCCCUYYHUPVQW-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(4-fluorophenyl)naphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenyl-1-naphthylamine
CID 7013
1-Naphthylamine
CID 8640
2-Naphthylamine
CID 7057
2-Aminoanthracene
CID 11937
1,5-Diaminonaphthalene
CID 16720
Yellow No. 2
CID 6824
1,8-Diaminonaphthalene
CID 68067
1-Aminopyrene
CID 15352
1-Aminoanthracene
CID 11885
1-Naphthalenamine, 4-(phenylazo)-
CID 8562
6-Aminochrysene
CID 17534
1-(2-(2-Methylphenyl)diazenyl)-2-naphthalenamine
CID 8578

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)naphthalen-1-amine?
The IUPAC name of 5-(4-fluorophenyl)naphthalen-1-amine (CID 172677714) is 5-(4-fluorophenyl)naphthalen-1-amine.
What is the SMILES notation for 5-(4-fluorophenyl)naphthalen-1-amine?
The canonical SMILES for 5-(4-fluorophenyl)naphthalen-1-amine is Nc1cccc2c(-c3ccc(F)cc3)cccc12.
What is the InChIKey of 5-(4-fluorophenyl)naphthalen-1-amine?
The InChIKey is OHCCCUYYHUPVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN/c17-12-9-7-11(8-10-12)13-3-1-5-15-14(13)4-2-6-16(15)18/h1-10H,18H2.
What are the key properties of 5-(4-fluorophenyl)naphthalen-1-amine?
5-(4-fluorophenyl)naphthalen-1-amine has a molecular weight of 237.28 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)naphthalen-1-amine is sourced from PubChem (CID 172677714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).