(3S)-3-fluoro-N,N-dipropyl-2,3-dihydropyridin-4-amine

C11H19FN2 — CID 155454735

IUPAC(3S)-3-fluoro-N,N-dipropyl-2,3-dihydropyridin-4-amine
SMILESCCCN(CCC)C1=CC=NC[C@@H]1F
InChIInChI=1S/C11H19FN2/c1-3-7-14(8-4-2)11-5-6-13-9-10(11)12/h5-6,10H,3-4,7-9H2,1-2H3/t10-/m0/s1
InChIKeyHCWSEGZUJAKFAR-JTQLQIEISA-N
MW198.28 g/mol
LogP2.41
Rot. Bonds5

About (3S)-3-fluoro-N,N-dipropyl-2,3-dihydropyridin-4-amine

(3S)-3-fluoro-N,N-dipropyl-2,3-dihydropyridin-4-amine (PubChem CID 155454735) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is (3S)-3-fluoro-N,N-dipropyl-2,3-dihydropyridin-4-amine.

Molecular Properties

Compound Name(3S)-3-fluoro-N,N-dipropyl-2,3-dihydropyridin-4-amine
PubChem CID155454735
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name(3S)-3-fluoro-N,N-dipropyl-2,3-dihydropyridin-4-amine
SMILESCCCN(CCC)C1=CC=NC[C@@H]1F
InChIInChI=1S/C11H19FN2/c1-3-7-14(8-4-2)11-5-6-13-9-10(11)12/h5-6,10H,3-4,7-9H2,1-2H3/t10-/m0/s1
InChIKeyHCWSEGZUJAKFAR-JTQLQIEISA-N
XLogP2.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-3-fluoro-N,N-dipropyl-2,3-dihydropyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-N,N-dipropyl-2,3-dihydropyridin-4-amine?
The IUPAC name of (3S)-3-fluoro-N,N-dipropyl-2,3-dihydropyridin-4-amine (CID 155454735) is (3S)-3-fluoro-N,N-dipropyl-2,3-dihydropyridin-4-amine.
What is the SMILES notation for (3S)-3-fluoro-N,N-dipropyl-2,3-dihydropyridin-4-amine?
The canonical SMILES for (3S)-3-fluoro-N,N-dipropyl-2,3-dihydropyridin-4-amine is CCCN(CCC)C1=CC=NC[C@@H]1F.
What is the InChIKey of (3S)-3-fluoro-N,N-dipropyl-2,3-dihydropyridin-4-amine?
The InChIKey is HCWSEGZUJAKFAR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19FN2/c1-3-7-14(8-4-2)11-5-6-13-9-10(11)12/h5-6,10H,3-4,7-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-3-fluoro-N,N-dipropyl-2,3-dihydropyridin-4-amine?
(3S)-3-fluoro-N,N-dipropyl-2,3-dihydropyridin-4-amine has a molecular weight of 198.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-N,N-dipropyl-2,3-dihydropyridin-4-amine is sourced from PubChem (CID 155454735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).