3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol

C16H25FN2O — CID 83126803

IUPAC3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCCN(CCC(O)c1ccc(F)cn1)C1CCCCC1
InChIInChI=1S/C16H25FN2O/c1-2-19(14-6-4-3-5-7-14)11-10-16(20)15-9-8-13(17)12-18-15/h8-9,12,14,16,20H,2-7,10-11H2,1H3
InChIKeyVOKLGRBCZQKMKC-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.30
Rot. Bonds6

About 3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol

3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 83126803) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID83126803
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCCN(CCC(O)c1ccc(F)cn1)C1CCCCC1
InChIInChI=1S/C16H25FN2O/c1-2-19(14-6-4-3-5-7-14)11-10-16(20)15-9-8-13(17)12-18-15/h8-9,12,14,16,20H,2-7,10-11H2,1H3
InChIKeyVOKLGRBCZQKMKC-UHFFFAOYSA-N
XLogP3.30
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclohexyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine
CID 83110520
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 83126451
3-[2,2-dimethylpropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126379
3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83111121
1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 83111517
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126594
1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 112585300
3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126666
1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 83126589
1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol
CID 55098237
1-[5-[cyclopentyl(ethyl)amino]-2-pyridinyl]propan-1-ol
CID 112585280
N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine
CID 115941183

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol (CID 83126803) is 3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol is CCN(CCC(O)c1ccc(F)cn1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is VOKLGRBCZQKMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-2-19(14-6-4-3-5-7-14)11-10-16(20)15-9-8-13(17)12-18-15/h8-9,12,14,16,20H,2-7,10-11H2,1H3.
What are the key properties of 3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 280.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 83126803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).