3-fluoro-4-(4-methylnaphthalen-1-yl)aniline

C17H14FN — CID 65437779

IUPAC3-fluoro-4-(4-methylnaphthalen-1-yl)aniline
SMILESCc1ccc(-c2ccc(N)cc2F)c2ccccc12
InChIInChI=1S/C17H14FN/c1-11-6-8-15(14-5-3-2-4-13(11)14)16-9-7-12(19)10-17(16)18/h2-10H,19H2,1H3
InChIKeyFGEUYRJEIFRJNG-UHFFFAOYSA-N
MW251.30 g/mol
LogP4.54
Rot. Bonds1

About 3-fluoro-4-(4-methylnaphthalen-1-yl)aniline

3-fluoro-4-(4-methylnaphthalen-1-yl)aniline (PubChem CID 65437779) has the molecular formula C17H14FN and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-fluoro-4-(4-methylnaphthalen-1-yl)aniline.

Molecular Properties

Compound Name3-fluoro-4-(4-methylnaphthalen-1-yl)aniline
PubChem CID65437779
Molecular FormulaC17H14FN
Molecular Weight251.30 g/mol
Exact Mass251.11
IUPAC Name3-fluoro-4-(4-methylnaphthalen-1-yl)aniline
SMILESCc1ccc(-c2ccc(N)cc2F)c2ccccc12
InChIInChI=1S/C17H14FN/c1-11-6-8-15(14-5-3-2-4-13(11)14)16-9-7-12(19)10-17(16)18/h2-10H,19H2,1H3
InChIKeyFGEUYRJEIFRJNG-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-(4-methylnaphthalen-1-yl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-methylnaphthalen-1-yl)aniline?
The IUPAC name of 3-fluoro-4-(4-methylnaphthalen-1-yl)aniline (CID 65437779) is 3-fluoro-4-(4-methylnaphthalen-1-yl)aniline.
What is the SMILES notation for 3-fluoro-4-(4-methylnaphthalen-1-yl)aniline?
The canonical SMILES for 3-fluoro-4-(4-methylnaphthalen-1-yl)aniline is Cc1ccc(-c2ccc(N)cc2F)c2ccccc12.
What is the InChIKey of 3-fluoro-4-(4-methylnaphthalen-1-yl)aniline?
The InChIKey is FGEUYRJEIFRJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN/c1-11-6-8-15(14-5-3-2-4-13(11)14)16-9-7-12(19)10-17(16)18/h2-10H,19H2,1H3.
What are the key properties of 3-fluoro-4-(4-methylnaphthalen-1-yl)aniline?
3-fluoro-4-(4-methylnaphthalen-1-yl)aniline has a molecular weight of 251.30 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-methylnaphthalen-1-yl)aniline is sourced from PubChem (CID 65437779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).