2-[(3-fluorophenyl)methyl]aniline

C13H12FN — CID 105453525

IUPAC2-[(3-fluorophenyl)methyl]aniline
SMILESNc1ccccc1Cc1cccc(F)c1
InChIInChI=1S/C13H12FN/c14-12-6-3-4-10(9-12)8-11-5-1-2-7-13(11)15/h1-7,9H,8,15H2
InChIKeyBPXNLGLOMPUOGJ-UHFFFAOYSA-N
MW201.24 g/mol
LogP3.00
Rot. Bonds2

About 2-[(3-fluorophenyl)methyl]aniline

2-[(3-fluorophenyl)methyl]aniline (PubChem CID 105453525) has the molecular formula C13H12FN and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]aniline
PubChem CID105453525
Molecular FormulaC13H12FN
Molecular Weight201.24 g/mol
Exact Mass201.10
IUPAC Name2-[(3-fluorophenyl)methyl]aniline
SMILESNc1ccccc1Cc1cccc(F)c1
InChIInChI=1S/C13H12FN/c14-12-6-3-4-10(9-12)8-11-5-1-2-7-13(11)15/h1-7,9H,8,15H2
InChIKeyBPXNLGLOMPUOGJ-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(3-fluorophenyl)methyl]aniline 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

2-[(3-fluorophenyl)methyl]-5-methylaniline
CID 105468725
2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline
CID 142730612
5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline
CID 157020701
1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene
CID 141193012
2-[(4-ethylphenyl)methyl]aniline
CID 11572028
2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 28970511
2-(aminomethyl)aniline;4-(aminomethyl)aniline;2-(2-fluorophenyl)ethanamine;2-(3-fluorophenyl)ethanamine
CID 159061615
2-[(2-fluorophenyl)methyl]aniline
CID 21497428
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43309193
5-amino-2-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 142402108
acetic acid;2-benzylaniline
CID 174872932
3-[(2,5-difluorophenyl)methyl]aniline
CID 116925761

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]aniline?
The IUPAC name of 2-[(3-fluorophenyl)methyl]aniline (CID 105453525) is 2-[(3-fluorophenyl)methyl]aniline.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]aniline?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]aniline is Nc1ccccc1Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]aniline?
The InChIKey is BPXNLGLOMPUOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN/c14-12-6-3-4-10(9-12)8-11-5-1-2-7-13(11)15/h1-7,9H,8,15H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]aniline?
2-[(3-fluorophenyl)methyl]aniline has a molecular weight of 201.24 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]aniline is sourced from PubChem (CID 105453525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).