2-(dimethylamino)-1-(3-methoxyphenyl)-2-methylbutan-1-ol

C14H23NO2 — CID 79063723

IUPAC2-(dimethylamino)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
SMILESCCC(C)(C(O)c1cccc(OC)c1)N(C)C
InChIInChI=1S/C14H23NO2/c1-6-14(2,15(3)4)13(16)11-8-7-9-12(10-11)17-5/h7-10,13,16H,6H2,1-5H3
InChIKeyUUBOGKXUBYXVPT-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.46
Rot. Bonds5

About 2-(dimethylamino)-1-(3-methoxyphenyl)-2-methylbutan-1-ol

2-(dimethylamino)-1-(3-methoxyphenyl)-2-methylbutan-1-ol (PubChem CID 79063723) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(3-methoxyphenyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
PubChem CID79063723
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(dimethylamino)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
SMILESCCC(C)(C(O)c1cccc(OC)c1)N(C)C
InChIInChI=1S/C14H23NO2/c1-6-14(2,15(3)4)13(16)11-8-7-9-12(10-11)17-5/h7-10,13,16H,6H2,1-5H3
InChIKeyUUBOGKXUBYXVPT-UHFFFAOYSA-N
XLogP2.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 79064671
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
2-N,2-N-diethyl-1-(3-methoxyphenyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79068906
1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol
CID 115827634
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
(1S,2R)-1-amino-1-(3-methoxyphenyl)butan-2-ol;hydrochloride
CID 171161967
1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylbutan-2-ol
CID 18322686
1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 79064289
1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384884
(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride
CID 66812884

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(3-methoxyphenyl)-2-methylbutan-1-ol?
The IUPAC name of 2-(dimethylamino)-1-(3-methoxyphenyl)-2-methylbutan-1-ol (CID 79063723) is 2-(dimethylamino)-1-(3-methoxyphenyl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(dimethylamino)-1-(3-methoxyphenyl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(dimethylamino)-1-(3-methoxyphenyl)-2-methylbutan-1-ol is CCC(C)(C(O)c1cccc(OC)c1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(3-methoxyphenyl)-2-methylbutan-1-ol?
The InChIKey is UUBOGKXUBYXVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-6-14(2,15(3)4)13(16)11-8-7-9-12(10-11)17-5/h7-10,13,16H,6H2,1-5H3.
What are the key properties of 2-(dimethylamino)-1-(3-methoxyphenyl)-2-methylbutan-1-ol?
2-(dimethylamino)-1-(3-methoxyphenyl)-2-methylbutan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(3-methoxyphenyl)-2-methylbutan-1-ol is sourced from PubChem (CID 79063723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).