1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol

C11H16BrNO — CID 84805808

IUPAC1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(Br)c(C)c1C
InChIInChI=1S/C11H16BrNO/c1-7-8(2)10(12)5-4-9(7)11(14)6-13-3/h4-5,11,13-14H,6H2,1-3H3
InChIKeyIPCRYADRCRGNHK-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.32
Rot. Bonds3

About 1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol

1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol (PubChem CID 84805808) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol
PubChem CID84805808
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(Br)c(C)c1C
InChIInChI=1S/C11H16BrNO/c1-7-8(2)10(12)5-4-9(7)11(14)6-13-3/h4-5,11,13-14H,6H2,1-3H3
InChIKeyIPCRYADRCRGNHK-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84810359
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol
CID 67042709
1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol
CID 84783153
1-(7-bromo-1,3-benzodioxol-4-yl)-2-(methylamino)ethanol
CID 117437465
1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117323942
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 117489349
6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol
CID 84806395
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
1-(3-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 83698787
5-[1-hydroxy-2-(methylamino)ethyl]-3,4-dimethylbenzene-1,2-diol
CID 117301904
1-(3-bromo-2-methoxyphenyl)-2-(methylamino)ethanol
CID 82623850
1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol
CID 83699915

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol (CID 84805808) is 1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol is CNCC(O)c1ccc(Br)c(C)c1C.
What is the InChIKey of 1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol?
The InChIKey is IPCRYADRCRGNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-7-8(2)10(12)5-4-9(7)11(14)6-13-3/h4-5,11,13-14H,6H2,1-3H3.
What are the key properties of 1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol?
1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol has a molecular weight of 258.16 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 84805808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).