4-[3-(2-fluorophenyl)propyl]aniline

C15H16FN — CID 47003655

IUPAC4-[3-(2-fluorophenyl)propyl]aniline
SMILESNc1ccc(CCCc2ccccc2F)cc1
InChIInChI=1S/C15H16FN/c16-15-7-2-1-5-13(15)6-3-4-12-8-10-14(17)11-9-12/h1-2,5,7-11H,3-4,6,17H2
InChIKeyJZIMUKUMIXULQF-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.58
Rot. Bonds4

About 4-[3-(2-fluorophenyl)propyl]aniline

4-[3-(2-fluorophenyl)propyl]aniline (PubChem CID 47003655) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)propyl]aniline.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)propyl]aniline
PubChem CID47003655
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name4-[3-(2-fluorophenyl)propyl]aniline
SMILESNc1ccc(CCCc2ccccc2F)cc1
InChIInChI=1S/C15H16FN/c16-15-7-2-1-5-13(15)6-3-4-12-8-10-14(17)11-9-12/h1-2,5,7-11H,3-4,6,17H2
InChIKeyJZIMUKUMIXULQF-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[3-(2-fluorophenyl)propyl]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

1-fluoro-2-(5-phenylpentyl)benzene
CID 90957769
4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one
CID 116605498
4-[4-(3-phenylpropyl)phenoxy]aniline
CID 123730632
5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole
CID 58128939
2-(aminomethyl)aniline;4-(aminomethyl)aniline;2-(2-fluorophenyl)ethanamine;2-(3-fluorophenyl)ethanamine
CID 159061615
1-fluoro-2-heptylbenzene
CID 20721019
4-[3-(1,2,4-benzotriazin-3-yl)propyl]aniline
CID 82486367
3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 131938810
5-[2-fluoro-4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole
CID 58129143
2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine
CID 91159456
1,4-bis(3-phenylpropyl)benzene
CID 59467322
4-(3-chloropropyl)aniline
CID 11805171

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)propyl]aniline?
The IUPAC name of 4-[3-(2-fluorophenyl)propyl]aniline (CID 47003655) is 4-[3-(2-fluorophenyl)propyl]aniline.
What is the SMILES notation for 4-[3-(2-fluorophenyl)propyl]aniline?
The canonical SMILES for 4-[3-(2-fluorophenyl)propyl]aniline is Nc1ccc(CCCc2ccccc2F)cc1.
What is the InChIKey of 4-[3-(2-fluorophenyl)propyl]aniline?
The InChIKey is JZIMUKUMIXULQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c16-15-7-2-1-5-13(15)6-3-4-12-8-10-14(17)11-9-12/h1-2,5,7-11H,3-4,6,17H2.
What are the key properties of 4-[3-(2-fluorophenyl)propyl]aniline?
4-[3-(2-fluorophenyl)propyl]aniline has a molecular weight of 229.30 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)propyl]aniline is sourced from PubChem (CID 47003655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).