5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]-2-phenylpentan-2-ol

C17H29NO2 — CID 14615620

IUPAC5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]-2-phenylpentan-2-ol
SMILESCC(C)[C@@H](CO)N(C)CCCC(C)(O)c1ccccc1
InChIInChI=1S/C17H29NO2/c1-14(2)16(13-19)18(4)12-8-11-17(3,20)15-9-6-5-7-10-15/h5-7,9-10,14,16,19-20H,8,11-13H2,1-4H3/t16-,17?/m1/s1
InChIKeyBXPBXQFMZCNNKQ-TZHYSIJRSA-N
MW279.42 g/mol
LogP2.62
Rot. Bonds8

About 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]-2-phenylpentan-2-ol

5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]-2-phenylpentan-2-ol (PubChem CID 14615620) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]-2-phenylpentan-2-ol.

Molecular Properties

Compound Name5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]-2-phenylpentan-2-ol
PubChem CID14615620
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]-2-phenylpentan-2-ol
SMILESCC(C)[C@@H](CO)N(C)CCCC(C)(O)c1ccccc1
InChIInChI=1S/C17H29NO2/c1-14(2)16(13-19)18(4)12-8-11-17(3,20)15-9-6-5-7-10-15/h5-7,9-10,14,16,19-20H,8,11-13H2,1-4H3/t16-,17?/m1/s1
InChIKeyBXPBXQFMZCNNKQ-TZHYSIJRSA-N
XLogP2.62
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[ethyl-[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-phenylpentan-2-ol
CID 14615618
2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol
CID 115137760
6-phenylheptane-1,6-diol
CID 11310303
6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol
CID 11834795
1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol
CID 55068286
1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol
CID 55068898
2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137658
3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol
CID 115137765
3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol
CID 159895945
6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol
CID 70534520
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
3-methyl-2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-1-ol
CID 115137792

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]-2-phenylpentan-2-ol?
The IUPAC name of 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]-2-phenylpentan-2-ol (CID 14615620) is 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]-2-phenylpentan-2-ol.
What is the SMILES notation for 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]-2-phenylpentan-2-ol?
The canonical SMILES for 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]-2-phenylpentan-2-ol is CC(C)[C@@H](CO)N(C)CCCC(C)(O)c1ccccc1.
What is the InChIKey of 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]-2-phenylpentan-2-ol?
The InChIKey is BXPBXQFMZCNNKQ-TZHYSIJRSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(2)16(13-19)18(4)12-8-11-17(3,20)15-9-6-5-7-10-15/h5-7,9-10,14,16,19-20H,8,11-13H2,1-4H3/t16-,17?/m1/s1.
What are the key properties of 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]-2-phenylpentan-2-ol?
5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]-2-phenylpentan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]-2-phenylpentan-2-ol is sourced from PubChem (CID 14615620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).