2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol

C12H18BrNO2 — CID 117115320

IUPAC2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol
SMILESCOc1c(C)c(C)c(C(O)CN)c(C)c1Br
InChIInChI=1S/C12H18BrNO2/c1-6-7(2)12(16-4)11(13)8(3)10(6)9(15)5-14/h9,15H,5,14H2,1-4H3
InChIKeyVJDBLFIOVKXKDU-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.38
Rot. Bonds3

About 2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol

2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol (PubChem CID 117115320) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol
PubChem CID117115320
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol
SMILESCOc1c(C)c(C)c(C(O)CN)c(C)c1Br
InChIInChI=1S/C12H18BrNO2/c1-6-7(2)12(16-4)11(13)8(3)10(6)9(15)5-14/h9,15H,5,14H2,1-4H3
InChIKeyVJDBLFIOVKXKDU-UHFFFAOYSA-N
XLogP2.38
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 117499849
2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol
CID 83904205
2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol
CID 117486740
2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474365
2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol
CID 84689924
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 116855759
6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol
CID 84714365
5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol
CID 117301752
2-amino-1-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474366
2-amino-1-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)ethanol
CID 117474367
3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 84814417
2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116942465

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol (CID 117115320) is 2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol is COc1c(C)c(C)c(C(O)CN)c(C)c1Br.
What is the InChIKey of 2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol?
The InChIKey is VJDBLFIOVKXKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-6-7(2)12(16-4)11(13)8(3)10(6)9(15)5-14/h9,15H,5,14H2,1-4H3.
What are the key properties of 2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol?
2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol has a molecular weight of 288.19 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol is sourced from PubChem (CID 117115320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).