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

C11H16BrNO2 — CID 83904205

IUPAC2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol
SMILESCOc1c(C(O)CN)cc(Br)c(C)c1C
InChIInChI=1S/C11H16BrNO2/c1-6-7(2)11(15-3)8(4-9(6)12)10(14)5-13/h4,10,14H,5,13H2,1-3H3
InChIKeyVYCLGPKFUHRDGS-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.07
Rot. Bonds3

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

2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol (PubChem CID 83904205) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol
PubChem CID83904205
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol
SMILESCOc1c(C(O)CN)cc(Br)c(C)c1C
InChIInChI=1S/C11H16BrNO2/c1-6-7(2)11(15-3)8(4-9(6)12)10(14)5-13/h4,10,14H,5,13H2,1-3H3
InChIKeyVYCLGPKFUHRDGS-UHFFFAOYSA-N
XLogP2.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol
CID 84714365
2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol
CID 117486740
2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol
CID 117489356
4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol
CID 84781748
5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol
CID 117301752
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 117489349
2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
CID 117499005
2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol
CID 117115320
2-amino-1-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)ethanol
CID 117474367
5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol
CID 117306460
2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol
CID 117468575

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol?
The IUPAC name of 2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol (CID 83904205) is 2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol is COc1c(C(O)CN)cc(Br)c(C)c1C.
What is the InChIKey of 2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol?
The InChIKey is VYCLGPKFUHRDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-6-7(2)11(15-3)8(4-9(6)12)10(14)5-13/h4,10,14H,5,13H2,1-3H3.
What are the key properties of 2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol?
2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol has a molecular weight of 274.16 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 83904205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).