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

C18H31NO2 — CID 14615618

IUPAC5-[ethyl-[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-phenylpentan-2-ol
SMILESCCN(CCCC(C)(O)c1ccccc1)[C@H](CO)C(C)C
InChIInChI=1S/C18H31NO2/c1-5-19(17(14-20)15(2)3)13-9-12-18(4,21)16-10-7-6-8-11-16/h6-8,10-11,15,17,20-21H,5,9,12-14H2,1-4H3/t17-,18?/m1/s1
InChIKeyTYMAPVMXDVXMPC-QNSVNVJESA-N
MW293.45 g/mol
LogP3.01
Rot. Bonds9

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

5-[ethyl-[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-phenylpentan-2-ol (PubChem CID 14615618) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 5-[ethyl-[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-phenylpentan-2-ol.

Molecular Properties

Compound Name5-[ethyl-[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-phenylpentan-2-ol
PubChem CID14615618
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name5-[ethyl-[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-phenylpentan-2-ol
SMILESCCN(CCCC(C)(O)c1ccccc1)[C@H](CO)C(C)C
InChIInChI=1S/C18H31NO2/c1-5-19(17(14-20)15(2)3)13-9-12-18(4,21)16-10-7-6-8-11-16/h6-8,10-11,15,17,20-21H,5,9,12-14H2,1-4H3/t17-,18?/m1/s1
InChIKeyTYMAPVMXDVXMPC-QNSVNVJESA-N
XLogP3.01
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]-2-phenylpentan-2-ol
CID 14615620
1-[ethyl(propan-2-yl)amino]-2-phenylpropan-2-ol
CID 62374985
6-phenylheptane-1,6-diol
CID 11310303
4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol
CID 129034055
3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol
CID 159895945
1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol
CID 13140414
1-(2,2,2-triphenylethoxy)ethane-1,1-diol
CID 54503444
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
4-hydroxy-1,4-diphenylpentan-1-one
CID 10634707
N,N-diethyl-1,1-diphenyl-1-silylpropan-2-amine
CID 173065028
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol
CID 11834795

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-phenylpentan-2-ol?
The IUPAC name of 5-[ethyl-[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-phenylpentan-2-ol (CID 14615618) is 5-[ethyl-[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-phenylpentan-2-ol.
What is the SMILES notation for 5-[ethyl-[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-phenylpentan-2-ol?
The canonical SMILES for 5-[ethyl-[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-phenylpentan-2-ol is CCN(CCCC(C)(O)c1ccccc1)[C@H](CO)C(C)C.
What is the InChIKey of 5-[ethyl-[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-phenylpentan-2-ol?
The InChIKey is TYMAPVMXDVXMPC-QNSVNVJESA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-19(17(14-20)15(2)3)13-9-12-18(4,21)16-10-7-6-8-11-16/h6-8,10-11,15,17,20-21H,5,9,12-14H2,1-4H3/t17-,18?/m1/s1.
What are the key properties of 5-[ethyl-[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-phenylpentan-2-ol?
5-[ethyl-[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-phenylpentan-2-ol has a molecular weight of 293.45 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-phenylpentan-2-ol is sourced from PubChem (CID 14615618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).