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

C12H19FN2O — CID 169261775

IUPAC(2R)-1-[1-(3-fluoro-2-pyridinyl)propylamino]butan-2-ol
SMILESCCC(NC[C@H](O)CC)c1ncccc1F
InChIInChI=1S/C12H19FN2O/c1-3-9(16)8-15-11(4-2)12-10(13)6-5-7-14-12/h5-7,9,11,15-16H,3-4,8H2,1-2H3/t9-,11?/m1/s1
InChIKeyUATYOWHKVNLWBT-BFHBGLAWSA-N
MW226.29 g/mol
LogP2.03
Rot. Bonds6

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

(2R)-1-[1-(3-fluoro-2-pyridinyl)propylamino]butan-2-ol (PubChem CID 169261775) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is (2R)-1-[1-(3-fluoro-2-pyridinyl)propylamino]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[1-(3-fluoro-2-pyridinyl)propylamino]butan-2-ol
PubChem CID169261775
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name(2R)-1-[1-(3-fluoro-2-pyridinyl)propylamino]butan-2-ol
SMILESCCC(NC[C@H](O)CC)c1ncccc1F
InChIInChI=1S/C12H19FN2O/c1-3-9(16)8-15-11(4-2)12-10(13)6-5-7-14-12/h5-7,9,11,15-16H,3-4,8H2,1-2H3/t9-,11?/m1/s1
InChIKeyUATYOWHKVNLWBT-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

3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol
CID 82920139
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
2-(3-chloropentan-2-yl)-3-fluoropyridine
CID 63560055
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol
CID 81379720
2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol
CID 131499215
N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736677
3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol
CID 84653760
1-[1-(4-methylphenyl)propylamino]butan-2-ol
CID 115899605
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 104803642
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 103040362
1-[1-(4-bromophenyl)propylamino]butan-2-ol
CID 115899581

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(3-fluoro-2-pyridinyl)propylamino]butan-2-ol?
The IUPAC name of (2R)-1-[1-(3-fluoro-2-pyridinyl)propylamino]butan-2-ol (CID 169261775) is (2R)-1-[1-(3-fluoro-2-pyridinyl)propylamino]butan-2-ol.
What is the SMILES notation for (2R)-1-[1-(3-fluoro-2-pyridinyl)propylamino]butan-2-ol?
The canonical SMILES for (2R)-1-[1-(3-fluoro-2-pyridinyl)propylamino]butan-2-ol is CCC(NC[C@H](O)CC)c1ncccc1F.
What is the InChIKey of (2R)-1-[1-(3-fluoro-2-pyridinyl)propylamino]butan-2-ol?
The InChIKey is UATYOWHKVNLWBT-BFHBGLAWSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-3-9(16)8-15-11(4-2)12-10(13)6-5-7-14-12/h5-7,9,11,15-16H,3-4,8H2,1-2H3/t9-,11?/m1/s1.
What are the key properties of (2R)-1-[1-(3-fluoro-2-pyridinyl)propylamino]butan-2-ol?
(2R)-1-[1-(3-fluoro-2-pyridinyl)propylamino]butan-2-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 (2R)-1-[1-(3-fluoro-2-pyridinyl)propylamino]butan-2-ol is sourced from PubChem (CID 169261775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).