2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine

C9H17FN2 — CID 105435260

IUPAC2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
SMILESCN1CC=C(C(C)(F)CN)CC1
InChIInChI=1S/C9H17FN2/c1-9(10,7-11)8-3-5-12(2)6-4-8/h3H,4-7,11H2,1-2H3
InChIKeyFWHVXWYEEJMQAD-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.94
Rot. Bonds2

About 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine

2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine (PubChem CID 105435260) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
PubChem CID105435260
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
SMILESCN1CC=C(C(C)(F)CN)CC1
InChIInChI=1S/C9H17FN2/c1-9(10,7-11)8-3-5-12(2)6-4-8/h3H,4-7,11H2,1-2H3
InChIKeyFWHVXWYEEJMQAD-UHFFFAOYSA-N
XLogP0.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-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

1-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71758631
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 75437864
2-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71757538
3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 117848997
1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 122642786
3-fluoro-1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 145646345
4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 155484976
(Z)-5-fluoro-N,N'-dimethyl-N'-(2-methylpentyl)hept-2-ene-1,7-diamine
CID 169880743
3-Fluoro-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 172345431
1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 176702205
3,3-difluoro-4-propan-2-yl-2,6-dihydro-1H-pyridine;ethane
CID 177353262
4-fluoro-1-methyl-3-propyl-3,6-dihydro-2H-pyridine
CID 178009524

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine?
The IUPAC name of 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine (CID 105435260) is 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine is CN1CC=C(C(C)(F)CN)CC1.
What is the InChIKey of 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine?
The InChIKey is FWHVXWYEEJMQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-9(10,7-11)8-3-5-12(2)6-4-8/h3H,4-7,11H2,1-2H3.
What are the key properties of 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine?
2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine has a molecular weight of 172.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine is sourced from PubChem (CID 105435260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).