3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol

C10H14BrNO2 — CID 84806393

IUPAC3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol
SMILESCNCC(O)c1c(O)ccc(C)c1Br
InChIInChI=1S/C10H14BrNO2/c1-6-3-4-7(13)9(10(6)11)8(14)5-12-2/h3-4,8,12-14H,5H2,1-2H3
InChIKeyDIUFUXHMFBVVKN-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.72
Rot. Bonds3

About 3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol

3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol (PubChem CID 84806393) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol.

Molecular Properties

Compound Name3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol
PubChem CID84806393
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol
SMILESCNCC(O)c1c(O)ccc(C)c1Br
InChIInChI=1S/C10H14BrNO2/c1-6-3-4-7(13)9(10(6)11)8(14)5-12-2/h3-4,8,12-14H,5H2,1-2H3
InChIKeyDIUFUXHMFBVVKN-UHFFFAOYSA-N
XLogP1.72
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol
CID 84710705
6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol
CID 84806395
4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84807282
N-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
CID 117488081
4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84685212
3-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde
CID 82400506
1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117499843
3-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-5-methylbenzene-1,2-diol
CID 117335501
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol
CID 67042709
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
2-(2-bromo-6-hydroxy-3-methylphenyl)-3-methylbutanoic acid
CID 84813993
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrate
CID 18674898

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol?
The IUPAC name of 3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol (CID 84806393) is 3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol.
What is the SMILES notation for 3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol?
The canonical SMILES for 3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol is CNCC(O)c1c(O)ccc(C)c1Br.
What is the InChIKey of 3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol?
The InChIKey is DIUFUXHMFBVVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-6-3-4-7(13)9(10(6)11)8(14)5-12-2/h3-4,8,12-14H,5H2,1-2H3.
What are the key properties of 3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol?
3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol has a molecular weight of 260.13 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol is sourced from PubChem (CID 84806393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).