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

N-Methylephedrine
CID 4374
Methylephedrine
CID 64782
Glemanserin
CID 71781
Tridihexethyl
CID 20299
Tridihexethyl Chloride
CID 20298
Benzenemethanol, alpha-(1-(dimethylamino)ethyl)-, hydrochloride, (R*,S*)-(+-)-
CID 198190
3-(Dimethylamino)-1-phenylpropan-1-ol
CID 110665
Lobelanidine
CID 442646
(1S,2S)-(+)-N-Methylpseudoephedrine
CID 7059596
Etafedrine
CID 94532
Cinnamedrine
CID 5370611
alpha-(((1-Methylethyl)amino)methyl)benzenemethanol
CID 20119

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).