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

C8H15FN2 — CID 105431029

IUPAC1-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
SMILESCN1CC=C(C(C)(N)F)CC1
InChIInChI=1S/C8H15FN2/c1-8(9,10)7-3-5-11(2)6-4-7/h3H,4-6,10H2,1-2H3
InChIKeyGQLKIBVRHBDKNX-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.89
Rot. Bonds1

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

1-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine (PubChem CID 105431029) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine.

Molecular Properties

Compound Name1-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
PubChem CID105431029
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name1-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
SMILESCN1CC=C(C(C)(N)F)CC1
InChIInChI=1S/C8H15FN2/c1-8(9,10)7-3-5-11(2)6-4-7/h3H,4-6,10H2,1-2H3
InChIKeyGQLKIBVRHBDKNX-UHFFFAOYSA-N
XLogP0.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine 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-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71757538
2-Fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
CID 105428657
1-Fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
CID 105428658
fluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 105428659
2-Fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine
CID 105431027
2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
CID 105431028
2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
CID 105435260
2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
CID 105436441
6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113591674
N-ethyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 113591736
N-methyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 113591739

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
The IUPAC name of 1-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine (CID 105431029) is 1-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine.
What is the SMILES notation for 1-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
The canonical SMILES for 1-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine is CN1CC=C(C(C)(N)F)CC1.
What is the InChIKey of 1-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
The InChIKey is GQLKIBVRHBDKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-8(9,10)7-3-5-11(2)6-4-7/h3H,4-6,10H2,1-2H3.
What are the key properties of 1-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
1-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine has a molecular weight of 158.22 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine is sourced from PubChem (CID 105431029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).