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

C12H19FN2O — CID 83118832

IUPAC1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC(C)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O/c1-4-12(3,16)8-15-9(2)11-6-5-10(13)7-14-11/h5-7,9,15-16H,4,8H2,1-3H3
InChIKeyYSCPEKFUHPFCJR-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.03
Rot. Bonds5

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

1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol (PubChem CID 83118832) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol
PubChem CID83118832
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC(C)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O/c1-4-12(3,16)8-15-9(2)11-6-5-10(13)7-14-11/h5-7,9,15-16H,4,8H2,1-3H3
InChIKeyYSCPEKFUHPFCJR-UHFFFAOYSA-N
XLogP2.03
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460664
2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 104860557
3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide
CID 103917149
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 83119908
tert-butyl N-[2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate
CID 104955582
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
CID 83120285
2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 83118931
5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol
CID 107303084
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 115896973
1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol
CID 103948352

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol (CID 83118832) is 1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol is CCC(C)(O)CNC(C)c1ccc(F)cn1.
What is the InChIKey of 1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol?
The InChIKey is YSCPEKFUHPFCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-4-12(3,16)8-15-9(2)11-6-5-10(13)7-14-11/h5-7,9,15-16H,4,8H2,1-3H3.
What are the key properties of 1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol?
1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol has a molecular weight of 226.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 83118832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).