3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol

C12H18BrNO2 — CID 83926098

IUPAC3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
SMILESCOc1ccc(C(CCO)N(C)C)cc1Br
InChIInChI=1S/C12H18BrNO2/c1-14(2)11(6-7-15)9-4-5-12(16-3)10(13)8-9/h4-5,8,11,15H,6-7H2,1-3H3
InChIKeyCSOAOSASROTEQG-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.44
Rot. Bonds5

About 3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol

3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol (PubChem CID 83926098) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
PubChem CID83926098
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
SMILESCOc1ccc(C(CCO)N(C)C)cc1Br
InChIInChI=1S/C12H18BrNO2/c1-14(2)11(6-7-15)9-4-5-12(16-3)10(13)8-9/h4-5,8,11,15H,6-7H2,1-3H3
InChIKeyCSOAOSASROTEQG-UHFFFAOYSA-N
XLogP2.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propane-1-thiol
CID 116908934
3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83928505
methyl 3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propanoate
CID 116910189
1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904801
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 54905229
1-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43769891
(1S)-1-(3-bromo-4-methoxyphenyl)ethane-1,2-diol
CID 11390954
1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82307677
(3S)-3-(3-bromo-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189570
3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83938229
3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83935225
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 54904858

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol (CID 83926098) is 3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol is COc1ccc(C(CCO)N(C)C)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol?
The InChIKey is CSOAOSASROTEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-14(2)11(6-7-15)9-4-5-12(16-3)10(13)8-9/h4-5,8,11,15H,6-7H2,1-3H3.
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol?
3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol has a molecular weight of 288.19 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 83926098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).