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

C10H14BrNO2 — CID 84806395

IUPAC6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol
SMILESCNCC(O)c1c(C)ccc(Br)c1O
InChIInChI=1S/C10H14BrNO2/c1-6-3-4-7(11)10(14)9(6)8(13)5-12-2/h3-4,8,12-14H,5H2,1-2H3
InChIKeyHIKQODRMPHKXOK-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.72
Rot. Bonds3

About 6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol

6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol (PubChem CID 84806395) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol.

Molecular Properties

Compound Name6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol
PubChem CID84806395
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol
SMILESCNCC(O)c1c(C)ccc(Br)c1O
InChIInChI=1S/C10H14BrNO2/c1-6-3-4-7(11)10(14)9(6)8(13)5-12-2/h3-4,8,12-14H,5H2,1-2H3
InChIKeyHIKQODRMPHKXOK-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

3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol
CID 84806393
1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol
CID 84710705
4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84807282
3-bromo-1-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117483744
1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol
CID 84805808
N-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
CID 117488081
2-(1-amino-3-methylbutan-2-yl)-6-bromo-3-methylphenol
CID 83903850
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
1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol
CID 117364611
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
2-(3-bromo-2-hydroxy-6-methylphenyl)-3-methylbutanoic acid
CID 84813995

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol?
The IUPAC name of 6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol (CID 84806395) is 6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol.
What is the SMILES notation for 6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol?
The canonical SMILES for 6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol is CNCC(O)c1c(C)ccc(Br)c1O.
What is the InChIKey of 6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol?
The InChIKey is HIKQODRMPHKXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-6-3-4-7(11)10(14)9(6)8(13)5-12-2/h3-4,8,12-14H,5H2,1-2H3.
What are the key properties of 6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol?
6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-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 6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol is sourced from PubChem (CID 84806395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).