(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol

C10H15FN2O — CID 103895006

IUPAC(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
SMILESCC(N[C@@H](C)CO)c1ccc(F)cn1
InChIInChI=1S/C10H15FN2O/c1-7(6-14)13-8(2)10-4-3-9(11)5-12-10/h3-5,7-8,13-14H,6H2,1-2H3/t7-,8?/m0/s1
InChIKeyMSDPDBUCHKAKDS-JAMMHHFISA-N
MW198.24 g/mol
LogP1.25
Rot. Bonds4

About (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol

(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol (PubChem CID 103895006) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
PubChem CID103895006
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
SMILESCC(N[C@@H](C)CO)c1ccc(F)cn1
InChIInChI=1S/C10H15FN2O/c1-7(6-14)13-8(2)10-4-3-9(11)5-12-10/h3-5,7-8,13-14H,6H2,1-2H3/t7-,8?/m0/s1
InChIKeyMSDPDBUCHKAKDS-JAMMHHFISA-N
XLogP1.25
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115886385
4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine
CID 104860347
2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 83119730
2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol
CID 83119110
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol
CID 103894880
1-cyclopropyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 83119407
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272
5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol
CID 107303084
2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 112582914
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 83119379
1-cyclopropyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83117431
1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 83118328

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol?
The IUPAC name of (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol (CID 103895006) is (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol is CC(N[C@@H](C)CO)c1ccc(F)cn1.
What is the InChIKey of (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol?
The InChIKey is MSDPDBUCHKAKDS-JAMMHHFISA-N. The full InChI is InChI=1S/C10H15FN2O/c1-7(6-14)13-8(2)10-4-3-9(11)5-12-10/h3-5,7-8,13-14H,6H2,1-2H3/t7-,8?/m0/s1.
What are the key properties of (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol?
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol has a molecular weight of 198.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol is sourced from PubChem (CID 103895006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).