2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine

C8H15FN2 — CID 105431027

IUPAC2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine
SMILESCC(F)(CN)C1=CCNCC1
InChIInChI=1S/C8H15FN2/c1-8(9,6-10)7-2-4-11-5-3-7/h2,11H,3-6,10H2,1H3
InChIKeyGKIDQKPMLCMOLQ-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.59
Rot. Bonds2

About 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine

2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine (PubChem CID 105431027) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine
PubChem CID105431027
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine
SMILESCC(F)(CN)C1=CCNCC1
InChIInChI=1S/C8H15FN2/c1-8(9,6-10)7-2-4-11-5-3-7/h2,11H,3-6,10H2,1H3
InChIKeyGKIDQKPMLCMOLQ-UHFFFAOYSA-N
XLogP0.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)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-Ethyl-1,2,3,6-tetrahydropyridine
CID 21473622
Pyridine, 1,2,5,6-tetrahydro-4-isopropyl-
CID 23423759
4-Tert-butyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 71757335
2-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71757538
4-tert-Butyl-1,2,3,6-tetrahydropyridine
CID 21519703
4-Propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 118697089
N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpentan-1-amine
CID 142528770
N-[(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)methyl]-4-methylpentan-1-amine
CID 142528841
N-[(3-fluorocyclohexa-1,3-dien-1-yl)methyl]ethanamine
CID 144504530
(3S)-3-fluoro-5-methyl-2,3,4,7-tetrahydro-1H-azepine
CID 169699470
(3R)-3-fluoro-5-methyl-2,3,4,7-tetrahydro-1H-azepine
CID 169699502
3-fluoro-5-methyl-2,3,4,7-tetrahydro-1H-azepine
CID 169699537

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine?
The IUPAC name of 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine (CID 105431027) is 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine is CC(F)(CN)C1=CCNCC1.
What is the InChIKey of 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine?
The InChIKey is GKIDQKPMLCMOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-8(9,6-10)7-2-4-11-5-3-7/h2,11H,3-6,10H2,1H3.
What are the key properties of 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine?
2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine has a molecular weight of 158.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine is sourced from PubChem (CID 105431027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).