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

C14H23NO2 — CID 18322686

IUPAC1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylbutan-2-ol
SMILESCOc1cccc(C(C)C(C)(O)CN(C)C)c1
InChIInChI=1S/C14H23NO2/c1-11(14(2,16)10-15(3)4)12-7-6-8-13(9-12)17-5/h6-9,11,16H,10H2,1-5H3
InChIKeyGQLBMRUEPOAXEY-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.11
Rot. Bonds5

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

1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylbutan-2-ol (PubChem CID 18322686) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylbutan-2-ol
PubChem CID18322686
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylbutan-2-ol
SMILESCOc1cccc(C(C)C(C)(O)CN(C)C)c1
InChIInChI=1S/C14H23NO2/c1-11(14(2,16)10-15(3)4)12-7-6-8-13(9-12)17-5/h6-9,11,16H,10H2,1-5H3
InChIKeyGQLBMRUEPOAXEY-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384884
(2S,3S)-3-(3-methoxyphenyl)-N,N,2-trimethylbutan-1-amine
CID 142658972
1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 81373628
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
2-(dimethylamino)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 79063723
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
1-(3-methoxyphenyl)pentane-1,4-diol
CID 81134047
(3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine
CID 78358059
1-(3-azido-3-methylbutan-2-yl)-3-methoxybenzene
CID 10775253
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
3-(dimethylamino)-2-(3-methoxyphenyl)propanenitrile
CID 82076986

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylbutan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylbutan-2-ol (CID 18322686) is 1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylbutan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylbutan-2-ol is COc1cccc(C(C)C(C)(O)CN(C)C)c1.
What is the InChIKey of 1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylbutan-2-ol?
The InChIKey is GQLBMRUEPOAXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(14(2,16)10-15(3)4)12-7-6-8-13(9-12)17-5/h6-9,11,16H,10H2,1-5H3.
What are the key properties of 1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylbutan-2-ol?
1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylbutan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylbutan-2-ol is sourced from PubChem (CID 18322686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).