3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol

C16H21FN2O2 — CID 110011129

IUPAC3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol
SMILESCCC(NC(C)CC(O)c1ccco1)c1ccc(F)cn1
InChIInChI=1S/C16H21FN2O2/c1-3-13(14-7-6-12(17)10-18-14)19-11(2)9-15(20)16-5-4-8-21-16/h4-8,10-11,13,15,19-20H,3,9H2,1-2H3
InChIKeyNZMMOTQGAYGIRF-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.37
Rot. Bonds7

About 3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol

3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol (PubChem CID 110011129) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol
PubChem CID110011129
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol
SMILESCCC(NC(C)CC(O)c1ccco1)c1ccc(F)cn1
InChIInChI=1S/C16H21FN2O2/c1-3-13(14-7-6-12(17)10-18-14)19-11(2)9-15(20)16-5-4-8-21-16/h4-8,10-11,13,15,19-20H,3,9H2,1-2H3
InChIKeyNZMMOTQGAYGIRF-UHFFFAOYSA-N
XLogP3.37
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)ethanol
CID 110010180
(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 103948862
1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 112583060
2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 112582914
1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propan-1-amine
CID 115938750
N-[1-(2-chlorophenyl)propan-2-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938502
(1S)-2-[[(R)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-(furan-2-yl)ethanol
CID 99854295
1-(5-fluoro-2-pyridinyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 103936857
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97096557
methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate
CID 103936815
1-[2-[1-(5-fluoro-2-pyridinyl)propylamino]phenyl]ethanol
CID 115938696
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 103936838

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol?
The IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol (CID 110011129) is 3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol.
What is the SMILES notation for 3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol?
The canonical SMILES for 3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol is CCC(NC(C)CC(O)c1ccco1)c1ccc(F)cn1.
What is the InChIKey of 3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol?
The InChIKey is NZMMOTQGAYGIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-3-13(14-7-6-12(17)10-18-14)19-11(2)9-15(20)16-5-4-8-21-16/h4-8,10-11,13,15,19-20H,3,9H2,1-2H3.
What are the key properties of 3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol?
3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol has a molecular weight of 292.35 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol is sourced from PubChem (CID 110011129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).