1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine

C13H14FN3 — CID 103775385

IUPAC1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCC(NCc1cccnc1)c1cncc(F)c1
InChIInChI=1S/C13H14FN3/c1-10(12-5-13(14)9-16-8-12)17-7-11-3-2-4-15-6-11/h2-6,8-10,17H,7H2,1H3
InChIKeyHWXYIPIWMIYZTO-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.47
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine

1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 103775385) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID103775385
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCC(NCc1cccnc1)c1cncc(F)c1
InChIInChI=1S/C13H14FN3/c1-10(12-5-13(14)9-16-8-12)17-7-11-3-2-4-15-6-11/h2-6,8-10,17H,7H2,1H3
InChIKeyHWXYIPIWMIYZTO-UHFFFAOYSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 78950275
1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 75482348
2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol
CID 29039016
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol
CID 103780351
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103776062
1-(5-fluoro-3-pyridinyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115706736
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine
CID 115692975
(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 29038709
(1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 115524164
(1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 29038794

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine (CID 103775385) is 1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine is CC(NCc1cccnc1)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is HWXYIPIWMIYZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-10(12-5-13(14)9-16-8-12)17-7-11-3-2-4-15-6-11/h2-6,8-10,17H,7H2,1H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine?
1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 231.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 103775385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).