1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine

C13H19FN2O — CID 113364614

IUPAC1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine
SMILESCOC1(CNC(C)c2cncc(F)c2)CCC1
InChIInChI=1S/C13H19FN2O/c1-10(11-6-12(14)8-15-7-11)16-9-13(17-2)4-3-5-13/h6-8,10,16H,3-5,9H2,1-2H3
InChIKeyZJLDCEXVCKZWER-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.44
Rot. Bonds5

About 1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine

1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine (PubChem CID 113364614) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine
PubChem CID113364614
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine
SMILESCOC1(CNC(C)c2cncc(F)c2)CCC1
InChIInChI=1S/C13H19FN2O/c1-10(11-6-12(14)8-15-7-11)16-9-13(17-2)4-3-5-13/h6-8,10,16H,3-5,9H2,1-2H3
InChIKeyZJLDCEXVCKZWER-UHFFFAOYSA-N
XLogP2.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 103776011
1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol
CID 75445050
1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine
CID 103980217
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
CID 103779066
3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol
CID 103904763
N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103780380
[1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol
CID 115927993
1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 75502451
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine
CID 115709749
N-[2-(2,2-difluoroethoxy)ethyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 102978048
3-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115704269
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 103780222

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine (CID 113364614) is 1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine is COC1(CNC(C)c2cncc(F)c2)CCC1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine?
The InChIKey is ZJLDCEXVCKZWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(11-6-12(14)8-15-7-11)16-9-13(17-2)4-3-5-13/h6-8,10,16H,3-5,9H2,1-2H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine?
1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine has a molecular weight of 238.31 g/mol, XLogP of 2.44, 5 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-[(1-methoxycyclobutyl)methyl]ethanamine is sourced from PubChem (CID 113364614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).