1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol

C11H16BrNO2 — CID 84810359

IUPAC1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(OC)c(Br)c1C
InChIInChI=1S/C11H16BrNO2/c1-7-8(9(14)6-13-2)4-5-10(15-3)11(7)12/h4-5,9,13-14H,6H2,1-3H3
InChIKeyJTGVLKKBWPHGNS-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.02
Rot. Bonds4

About 1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol

1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol (PubChem CID 84810359) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol
PubChem CID84810359
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(OC)c(Br)c1C
InChIInChI=1S/C11H16BrNO2/c1-7-8(9(14)6-13-2)4-5-10(15-3)11(7)12/h4-5,9,13-14H,6H2,1-3H3
InChIKeyJTGVLKKBWPHGNS-UHFFFAOYSA-N
XLogP2.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)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

1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117323942
1-(3-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 83698787
1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol
CID 84805808
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 117489349
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol
CID 67042709
1-(3-bromo-2,4-dimethoxyphenyl)-2-(propylamino)ethanol
CID 103524083
1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol
CID 84783153
1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117386619
1-(3-bromo-2-methoxyphenyl)-2-(methylamino)ethanol
CID 82623850
1-(4-bromo-3-methoxyphenyl)-2-(methylamino)ethanol
CID 83734466

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol (CID 84810359) is 1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol is CNCC(O)c1ccc(OC)c(Br)c1C.
What is the InChIKey of 1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol?
The InChIKey is JTGVLKKBWPHGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-7-8(9(14)6-13-2)4-5-10(15-3)11(7)12/h4-5,9,13-14H,6H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol?
1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol has a molecular weight of 274.16 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 84810359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).