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

C7H13FN2 — CID 105428658

IUPAC1-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
SMILESCC(N)(F)C1=CCNCC1
InChIInChI=1S/C7H13FN2/c1-7(8,9)6-2-4-10-5-3-6/h2,10H,3-5,9H2,1H3
InChIKeyNJQAVUWPEGLUNR-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.55
Rot. Bonds1

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

1-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine (PubChem CID 105428658) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 1-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine.

Molecular Properties

Compound Name1-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
PubChem CID105428658
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name1-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
SMILESCC(N)(F)C1=CCNCC1
InChIInChI=1S/C7H13FN2/c1-7(8,9)6-2-4-10-5-3-6/h2,10H,3-5,9H2,1H3
InChIKeyNJQAVUWPEGLUNR-UHFFFAOYSA-N
XLogP0.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-1,2,3,6-tetrahydropyridine
CID 5231576
1-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71758631
4-Ethyl-1,2,3,6-tetrahydropyridine
CID 21473622
Pyridine, 1,2,5,6-tetrahydro-4,6-dimethyl-
CID 23423762
2-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71757538
(1,2,3,6-Tetrahydropyridin-4-yl)methanamine
CID 20666163
4-Methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 118357415
3-Fluoro-2,5-dimethyl-1,2,3,6-tetrahydropyridine
CID 135217717
N-[(3-fluorocyclohexa-1,3-dien-1-yl)methyl]ethanamine
CID 144504530
2-Ethyl-6-(1-fluoroethyl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 146640795
3-Fluoro-5-methyl-1,2,3,6-tetrahydropyridine
CID 147272614
2,2,2-Trifluoro-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine
CID 159900327

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
The IUPAC name of 1-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine (CID 105428658) is 1-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine.
What is the SMILES notation for 1-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
The canonical SMILES for 1-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine is CC(N)(F)C1=CCNCC1.
What is the InChIKey of 1-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
The InChIKey is NJQAVUWPEGLUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-7(8,9)6-2-4-10-5-3-6/h2,10H,3-5,9H2,1H3.
What are the key properties of 1-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
1-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine has a molecular weight of 144.19 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine is sourced from PubChem (CID 105428658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).