2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol

C16H19FN2O — CID 83119110

IUPAC2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(NC(CO)Cc1ccccc1)c1ccc(F)cn1
InChIInChI=1S/C16H19FN2O/c1-12(16-8-7-14(17)10-18-16)19-15(11-20)9-13-5-3-2-4-6-13/h2-8,10,12,15,19-20H,9,11H2,1H3
InChIKeyXRXMVIGKKINESI-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.47
Rot. Bonds6

About 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol

2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol (PubChem CID 83119110) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol
PubChem CID83119110
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(NC(CO)Cc1ccccc1)c1ccc(F)cn1
InChIInChI=1S/C16H19FN2O/c1-12(16-8-7-14(17)10-18-16)19-15(11-20)9-13-5-3-2-4-6-13/h2-8,10,12,15,19-20H,9,11H2,1H3
InChIKeyXRXMVIGKKINESI-UHFFFAOYSA-N
XLogP2.47
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104926141
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 103895006
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol
CID 103894880
1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 83118328
5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673867
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260929
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 83119379
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115886385

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol (CID 83119110) is 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol is CC(NC(CO)Cc1ccccc1)c1ccc(F)cn1.
What is the InChIKey of 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol?
The InChIKey is XRXMVIGKKINESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-12(16-8-7-14(17)10-18-16)19-15(11-20)9-13-5-3-2-4-6-13/h2-8,10,12,15,19-20H,9,11H2,1H3.
What are the key properties of 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol?
2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol has a molecular weight of 274.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 83119110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).