3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol

C18H31NO — CID 83927558

IUPAC3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
SMILESCCc1ccc(C(C)(C)C)cc1C(C(C)CO)N(C)C
InChIInChI=1S/C18H31NO/c1-8-14-9-10-15(18(3,4)5)11-16(14)17(19(6)7)13(2)12-20/h9-11,13,17,20H,8,12H2,1-7H3
InChIKeyNWVGLDIXQMIXOK-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.78
Rot. Bonds5

About 3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol

3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol (PubChem CID 83927558) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
PubChem CID83927558
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
SMILESCCc1ccc(C(C)(C)C)cc1C(C(C)CO)N(C)C
InChIInChI=1S/C18H31NO/c1-8-14-9-10-15(18(3,4)5)11-16(14)17(19(6)7)13(2)12-20/h9-11,13,17,20H,8,12H2,1-7H3
InChIKeyNWVGLDIXQMIXOK-UHFFFAOYSA-N
XLogP3.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83927557
1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904659
2-(4-bromobutan-2-yl)-4-tert-butyl-1-ethylbenzene
CID 83927529
6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol
CID 83927642
4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene
CID 83927610
2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine
CID 83927537
2-[2-(5-tert-butyl-2-ethylphenyl)propyl]-3-ethyloxirane
CID 83927621
3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol
CID 83942689
4-tert-butyl-1-ethyl-2-hex-5-yn-3-ylbenzene
CID 83927601
carbon monoxide;chromium;(2S)-2-[5-(dimethylamino)-2-ethylphenyl]propan-1-ol
CID 134899115
3-(dimethylamino)-3-(4-ethylsulfonylphenyl)-2-methylpropan-1-ol
CID 83927183
2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol
CID 82083216

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol (CID 83927558) is 3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol is CCc1ccc(C(C)(C)C)cc1C(C(C)CO)N(C)C.
What is the InChIKey of 3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol?
The InChIKey is NWVGLDIXQMIXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-8-14-9-10-15(18(3,4)5)11-16(14)17(19(6)7)13(2)12-20/h9-11,13,17,20H,8,12H2,1-7H3.
What are the key properties of 3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol?
3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol has a molecular weight of 277.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 83927558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).