2-bromo-3-methyl-6-(methylaminomethyl)phenol

C9H12BrNO — CID 84693267

IUPAC2-bromo-3-methyl-6-(methylaminomethyl)phenol
SMILESCNCc1ccc(C)c(Br)c1O
InChIInChI=1S/C9H12BrNO/c1-6-3-4-7(5-11-2)9(12)8(6)10/h3-4,11-12H,5H2,1-2H3
InChIKeyOWPMVZUGKMWJKF-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.18
Rot. Bonds2

About 2-bromo-3-methyl-6-(methylaminomethyl)phenol

2-bromo-3-methyl-6-(methylaminomethyl)phenol (PubChem CID 84693267) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-bromo-3-methyl-6-(methylaminomethyl)phenol.

Molecular Properties

Compound Name2-bromo-3-methyl-6-(methylaminomethyl)phenol
PubChem CID84693267
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-bromo-3-methyl-6-(methylaminomethyl)phenol
SMILESCNCc1ccc(C)c(Br)c1O
InChIInChI=1S/C9H12BrNO/c1-6-3-4-7(5-11-2)9(12)8(6)10/h3-4,11-12H,5H2,1-2H3
InChIKeyOWPMVZUGKMWJKF-UHFFFAOYSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

6-(2-aminoethyl)-2-bromo-3-methylphenol
CID 84693265
2-amino-3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
CID 84713730
3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
CID 84709646
(3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride
CID 117482561
1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84709294
3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid
CID 84713491
1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 84654035
6-[(hydroxyamino)methyl]-2,3-dimethylphenol
CID 117276536
2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 84709440
4-chloro-2-methyl-6-(methylaminomethyl)phenol
CID 115978288
2-chloro-6-(methylaminomethyl)phenol;hydrochloride
CID 135396200
3-bromo-6-[2-(methylamino)ethyl]benzene-1,2-diol
CID 117367015

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-6-(methylaminomethyl)phenol?
The IUPAC name of 2-bromo-3-methyl-6-(methylaminomethyl)phenol (CID 84693267) is 2-bromo-3-methyl-6-(methylaminomethyl)phenol.
What is the SMILES notation for 2-bromo-3-methyl-6-(methylaminomethyl)phenol?
The canonical SMILES for 2-bromo-3-methyl-6-(methylaminomethyl)phenol is CNCc1ccc(C)c(Br)c1O.
What is the InChIKey of 2-bromo-3-methyl-6-(methylaminomethyl)phenol?
The InChIKey is OWPMVZUGKMWJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6-3-4-7(5-11-2)9(12)8(6)10/h3-4,11-12H,5H2,1-2H3.
What are the key properties of 2-bromo-3-methyl-6-(methylaminomethyl)phenol?
2-bromo-3-methyl-6-(methylaminomethyl)phenol has a molecular weight of 230.10 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-6-(methylaminomethyl)phenol is sourced from PubChem (CID 84693267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).