N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine

C12H19FN2O — CID 115709749

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine
SMILESCOCCCCNC(C)c1cncc(F)c1
InChIInChI=1S/C12H19FN2O/c1-10(15-5-3-4-6-16-2)11-7-12(13)9-14-8-11/h7-10,15H,3-6H2,1-2H3
InChIKeyXNHWCOWHFXVOCQ-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.30
Rot. Bonds7

About N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine

N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine (PubChem CID 115709749) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine
PubChem CID115709749
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine
SMILESCOCCCCNC(C)c1cncc(F)c1
InChIInChI=1S/C12H19FN2O/c1-10(15-5-3-4-6-16-2)11-7-12(13)9-14-8-11/h7-10,15H,3-6H2,1-2H3
InChIKeyXNHWCOWHFXVOCQ-UHFFFAOYSA-N
XLogP2.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 103780222
3-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115704269
1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 75502451
5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile
CID 115716617
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115721383
N-[2-(2,2-difluoroethoxy)ethyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 102978048
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115721045
N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103780380
5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine
CID 103711047
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
CID 103779066
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
N-[1-(3,4-dimethylphenyl)ethyl]-5-methoxypentan-1-amine
CID 103779839

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine (CID 115709749) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine is COCCCCNC(C)c1cncc(F)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine?
The InChIKey is XNHWCOWHFXVOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-10(15-5-3-4-6-16-2)11-7-12(13)9-14-8-11/h7-10,15H,3-6H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine has a molecular weight of 226.29 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine is sourced from PubChem (CID 115709749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).