N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine

C15H19FN2O — CID 103776057

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NC(C)c1cncc(F)c1
InChIInChI=1S/C15H19FN2O/c1-11(5-6-15-4-3-7-19-15)18-12(2)13-8-14(16)10-17-9-13/h3-4,7-12,18H,5-6H2,1-2H3
InChIKeyDJVGWOQXPLBJOU-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.49
Rot. Bonds6

About N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine

N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 103776057) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine
PubChem CID103776057
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NC(C)c1cncc(F)c1
InChIInChI=1S/C15H19FN2O/c1-11(5-6-15-4-3-7-19-15)18-12(2)13-8-14(16)10-17-9-13/h3-4,7-12,18H,5-6H2,1-2H3
InChIKeyDJVGWOQXPLBJOU-UHFFFAOYSA-N
XLogP3.49
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349893
4-(furan-2-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349155
4-(furan-2-yl)-N-[(1R)-1-(3-methylphenyl)ethyl]butan-2-amine
CID 81363511
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
N-[1-(3-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43105060
N-[(1R)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81382381
N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81381164
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 103779314
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
1-(3-fluorophenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515429
4-(furan-2-yl)-N-(1-pyridin-2-ylethyl)butan-2-amine
CID 43205350

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine (CID 103776057) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine is CC(CCc1ccco1)NC(C)c1cncc(F)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is DJVGWOQXPLBJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-11(5-6-15-4-3-7-19-15)18-12(2)13-8-14(16)10-17-9-13/h3-4,7-12,18H,5-6H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 262.33 g/mol, XLogP of 3.49, 6 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-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 103776057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).