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

C12H19FN2O — CID 103948862

IUPAC(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
SMILESCCC(N[C@H](C)CCO)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O/c1-3-11(15-9(2)6-7-16)12-5-4-10(13)8-14-12/h4-5,8-9,11,15-16H,3,6-7H2,1-2H3/t9-,11?/m1/s1
InChIKeyQYBSAVJNRDMDKS-BFHBGLAWSA-N
MW226.29 g/mol
LogP2.03
Rot. Bonds6

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

(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol (PubChem CID 103948862) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is (3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
PubChem CID103948862
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
SMILESCCC(N[C@H](C)CCO)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O/c1-3-11(15-9(2)6-7-16)12-5-4-10(13)8-14-12/h4-5,8-9,11,15-16H,3,6-7H2,1-2H3/t9-,11?/m1/s1
InChIKeyQYBSAVJNRDMDKS-BFHBGLAWSA-N
XLogP2.03
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 112582914
3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol
CID 112583235
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83129133
3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol
CID 110011129
1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 112583060
3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol
CID 112583184
2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid
CID 112586667
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
1-(5-fluoro-2-pyridinyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 103936857
methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate
CID 103936815
N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938518

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol?
The IUPAC name of (3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol (CID 103948862) is (3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol.
What is the SMILES notation for (3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol?
The canonical SMILES for (3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol is CCC(N[C@H](C)CCO)c1ccc(F)cn1.
What is the InChIKey of (3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol?
The InChIKey is QYBSAVJNRDMDKS-BFHBGLAWSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-3-11(15-9(2)6-7-16)12-5-4-10(13)8-14-12/h4-5,8-9,11,15-16H,3,6-7H2,1-2H3/t9-,11?/m1/s1.
What are the key properties of (3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol?
(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol has a molecular weight of 226.29 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol is sourced from PubChem (CID 103948862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).