1-(4-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine

C8H15FN2 — CID 167226682

IUPAC1-(4-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine
SMILESCNC(C)N1CC=C(F)CC1
InChIInChI=1S/C8H15FN2/c1-7(10-2)11-5-3-8(9)4-6-11/h3,7,10H,4-6H2,1-2H3
InChIKeyPUVIRNIGYNARQX-UHFFFAOYSA-N
MW158.22 g/mol
LogP1.11
Rot. Bonds2

About 1-(4-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine

1-(4-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine (PubChem CID 167226682) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-(4-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine
PubChem CID167226682
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name1-(4-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine
SMILESCNC(C)N1CC=C(F)CC1
InChIInChI=1S/C8H15FN2/c1-7(10-2)11-5-3-8(9)4-6-11/h3,7,10H,4-6H2,1-2H3
InChIKeyPUVIRNIGYNARQX-UHFFFAOYSA-N
XLogP1.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine?
The IUPAC name of 1-(4-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine (CID 167226682) is 1-(4-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine is CNC(C)N1CC=C(F)CC1.
What is the InChIKey of 1-(4-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine?
The InChIKey is PUVIRNIGYNARQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-7(10-2)11-5-3-8(9)4-6-11/h3,7,10H,4-6H2,1-2H3.
What are the key properties of 1-(4-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine?
1-(4-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine has a molecular weight of 158.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine is sourced from PubChem (CID 167226682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).