1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol

C15H25NO3 — CID 79064671

IUPAC1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(C(O)c1ccc(OC)cc1OC)N(C)C
InChIInChI=1S/C15H25NO3/c1-7-15(2,16(3)4)14(17)12-9-8-11(18-5)10-13(12)19-6/h8-10,14,17H,7H2,1-6H3
InChIKeySQAXSXGKWHNJHU-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.47
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol

1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol (PubChem CID 79064671) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
PubChem CID79064671
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(C(O)c1ccc(OC)cc1OC)N(C)C
InChIInChI=1S/C15H25NO3/c1-7-15(2,16(3)4)14(17)12-9-8-11(18-5)10-13(12)19-6/h8-10,14,17H,7H2,1-6H3
InChIKeySQAXSXGKWHNJHU-UHFFFAOYSA-N
XLogP2.47
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 79064289
2-(dimethylamino)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 79063723
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 79137198
1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol
CID 116911329
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol
CID 116713378
1-N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 103395656
1-(2,4-dimethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79046908
1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol
CID 116713087
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol
CID 79061364
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol (CID 79064671) is 1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol is CCC(C)(C(O)c1ccc(OC)cc1OC)N(C)C.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol?
The InChIKey is SQAXSXGKWHNJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-7-15(2,16(3)4)14(17)12-9-8-11(18-5)10-13(12)19-6/h8-10,14,17H,7H2,1-6H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol?
1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 79064671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).