3-(3-fluoropropyl)aniline

C9H12FN — CID 83855660

IUPAC3-(3-fluoropropyl)aniline
SMILESNc1cccc(CCCF)c1
InChIInChI=1S/C9H12FN/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7H,2,4,6,11H2
InChIKeyGMPOFCZFXSUTCR-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.17
Rot. Bonds3

About 3-(3-fluoropropyl)aniline

3-(3-fluoropropyl)aniline (PubChem CID 83855660) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 3-(3-fluoropropyl)aniline.

Molecular Properties

Compound Name3-(3-fluoropropyl)aniline
PubChem CID83855660
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name3-(3-fluoropropyl)aniline
SMILESNc1cccc(CCCF)c1
InChIInChI=1S/C9H12FN/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7H,2,4,6,11H2
InChIKeyGMPOFCZFXSUTCR-UHFFFAOYSA-N
XLogP2.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3-fluoropropyl)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

3-(3-aminophenyl)propan-1-ol
CID 10103334
3-pentylaniline
CID 19911390
3-docosylaniline
CID 139654071
1-chloro-3-(3-fluoropropyl)benzene
CID 54201496
5-(3-aminophenyl)pentanal
CID 54510654
3-(aminomethyl)aniline;dihydrochloride
CID 23346995
6-(3-aminophenyl)hexanamide
CID 121009137
4-(3-aminophenyl)butanoic acid;hydrochloride
CID 11715486
ethane;3-propylaniline;vanadium
CID 143596420
3-[[3-fluoropropyl(propan-2-yl)amino]methyl]aniline
CID 81105778
6-(3-aminophenyl)-3-methylhexan-2-ol
CID 89100979
3-(3-aminophenyl)propyl-[dihydroxy(oxo)-λ6-sulfanylidene]sulfanium
CID 172682666

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropyl)aniline?
The IUPAC name of 3-(3-fluoropropyl)aniline (CID 83855660) is 3-(3-fluoropropyl)aniline.
What is the SMILES notation for 3-(3-fluoropropyl)aniline?
The canonical SMILES for 3-(3-fluoropropyl)aniline is Nc1cccc(CCCF)c1.
What is the InChIKey of 3-(3-fluoropropyl)aniline?
The InChIKey is GMPOFCZFXSUTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7H,2,4,6,11H2.
What are the key properties of 3-(3-fluoropropyl)aniline?
3-(3-fluoropropyl)aniline has a molecular weight of 153.20 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)aniline is sourced from PubChem (CID 83855660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).