3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine

C13H19FN2 — CID 170878920

IUPAC3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine
SMILESNCCCc1ccc(N2CCCC2)cc1F
InChIInChI=1S/C13H19FN2/c14-13-10-12(16-8-1-2-9-16)6-5-11(13)4-3-7-15/h5-6,10H,1-4,7-9,15H2
InChIKeyNAUWTGQNOFCZNE-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.32
Rot. Bonds4

About 3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine

3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine (PubChem CID 170878920) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine
PubChem CID170878920
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine
SMILESNCCCc1ccc(N2CCCC2)cc1F
InChIInChI=1S/C13H19FN2/c14-13-10-12(16-8-1-2-9-16)6-5-11(13)4-3-7-15/h5-6,10H,1-4,7-9,15H2
InChIKeyNAUWTGQNOFCZNE-UHFFFAOYSA-N
XLogP2.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-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

[4-(azocan-1-yl)-2-fluorophenyl]methanamine
CID 115366666
[2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine
CID 115366849
3-[4-(azepan-1-yl)phenyl]propan-1-amine
CID 28806979
(2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine
CID 115366694
3-[3-(azepan-1-yl)phenyl]propan-1-amine
CID 28806993
[4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine
CID 113295404
[4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine
CID 115366831
3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine
CID 82346723
1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine
CID 90423876
1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine
CID 70652464
1-(4-fluoro-3-iodophenyl)pyrrolidine
CID 168512931
1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine
CID 84750840

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine?
The IUPAC name of 3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine (CID 170878920) is 3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine is NCCCc1ccc(N2CCCC2)cc1F.
What is the InChIKey of 3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine?
The InChIKey is NAUWTGQNOFCZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c14-13-10-12(16-8-1-2-9-16)6-5-11(13)4-3-7-15/h5-6,10H,1-4,7-9,15H2.
What are the key properties of 3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine?
3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine has a molecular weight of 222.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine is sourced from PubChem (CID 170878920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).