2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol

C17H29NO2 — CID 103433176

IUPAC2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol
SMILESCCC(CC)(C(O)c1ccc(C)c(C)c1OC)N(C)C
InChIInChI=1S/C17H29NO2/c1-8-17(9-2,18(5)6)16(19)14-11-10-12(3)13(4)15(14)20-7/h10-11,16,19H,8-9H2,1-7H3
InChIKeyWUMPJRZWHZPEIK-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.47
Rot. Bonds6

About 2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol

2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol (PubChem CID 103433176) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol
PubChem CID103433176
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol
SMILESCCC(CC)(C(O)c1ccc(C)c(C)c1OC)N(C)C
InChIInChI=1S/C17H29NO2/c1-8-17(9-2,18(5)6)16(19)14-11-10-12(3)13(4)15(14)20-7/h10-11,16,19H,8-9H2,1-7H3
InChIKeyWUMPJRZWHZPEIK-UHFFFAOYSA-N
XLogP3.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol
CID 103448788
1-(2-methoxy-3,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 103432558
2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylpropan-1-ol
CID 103433183
1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol
CID 103433114
1-(2-methoxy-3,4-dimethylphenyl)decan-1-ol
CID 103435642
2-(ethylamino)-1-(2-methoxy-3,4-dimethylphenyl)ethanol
CID 103434593
1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 103433099
2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433952
1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine
CID 103435574
2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
CID 103432971
[2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutyl]hydrazine
CID 103436158
methyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate
CID 103434208

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol?
The IUPAC name of 2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol (CID 103433176) is 2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol.
What is the SMILES notation for 2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol?
The canonical SMILES for 2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol is CCC(CC)(C(O)c1ccc(C)c(C)c1OC)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol?
The InChIKey is WUMPJRZWHZPEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-8-17(9-2,18(5)6)16(19)14-11-10-12(3)13(4)15(14)20-7/h10-11,16,19H,8-9H2,1-7H3.
What are the key properties of 2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol?
2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol is sourced from PubChem (CID 103433176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).