3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol

C16H27FN2O — CID 83126666

IUPAC3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCCCCN(CCC(O)c1ccc(F)cn1)C(C)CC
InChIInChI=1S/C16H27FN2O/c1-4-6-10-19(13(3)5-2)11-9-16(20)15-8-7-14(17)12-18-15/h7-8,12-13,16,20H,4-6,9-11H2,1-3H3
InChIKeyJGMGORKKUBWPEE-UHFFFAOYSA-N
MW282.40 g/mol
LogP3.54
Rot. Bonds9

About 3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol

3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 83126666) has the molecular formula C16H27FN2O and a molecular weight of 282.40 g/mol. Its IUPAC name is 3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID83126666
Molecular FormulaC16H27FN2O
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC Name3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCCCCN(CCC(O)c1ccc(F)cn1)C(C)CC
InChIInChI=1S/C16H27FN2O/c1-4-6-10-19(13(3)5-2)11-9-16(20)15-8-7-14(17)12-18-15/h7-8,12-13,16,20H,4-6,9-11H2,1-3H3
InChIKeyJGMGORKKUBWPEE-UHFFFAOYSA-N
XLogP3.54
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
CID 83126144
1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 83126589
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
3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol
CID 63489960
1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol
CID 83111321
1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 83111517
3-[butan-2-yl(2-methoxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941567
3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126803
4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol
CID 79722278
1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol
CID 114473963
1-(5-fluoro-2-pyridinyl)-2-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 115941309

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol (CID 83126666) is 3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol is CCCCN(CCC(O)c1ccc(F)cn1)C(C)CC.
What is the InChIKey of 3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is JGMGORKKUBWPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O/c1-4-6-10-19(13(3)5-2)11-9-16(20)15-8-7-14(17)12-18-15/h7-8,12-13,16,20H,4-6,9-11H2,1-3H3.
What are the key properties of 3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 282.40 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 83126666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).