3-bromo-2-(methylaminomethyl)phenol

C8H10BrNO — CID 84734958

IUPAC3-bromo-2-(methylaminomethyl)phenol
SMILESCNCc1c(O)cccc1Br
InChIInChI=1S/C8H10BrNO/c1-10-5-6-7(9)3-2-4-8(6)11/h2-4,10-11H,5H2,1H3
InChIKeyRSXHNWXRYGGKTB-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.87
Rot. Bonds2

About 3-bromo-2-(methylaminomethyl)phenol

3-bromo-2-(methylaminomethyl)phenol (PubChem CID 84734958) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 3-bromo-2-(methylaminomethyl)phenol.

Molecular Properties

Compound Name3-bromo-2-(methylaminomethyl)phenol
PubChem CID84734958
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name3-bromo-2-(methylaminomethyl)phenol
SMILESCNCc1c(O)cccc1Br
InChIInChI=1S/C8H10BrNO/c1-10-5-6-7(9)3-2-4-8(6)11/h2-4,10-11H,5H2,1H3
InChIKeyRSXHNWXRYGGKTB-UHFFFAOYSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-2-(methylaminomethyl)phenol 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

3-bromo-2-[3-(methylamino)propyl]phenol
CID 84737240
1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine
CID 83899796
2,3,4-tris(methylaminomethyl)phenol
CID 70459249
2-[(2-bromophenyl)methyl]benzene-1,3-diol
CID 135030725
3-bromo-2-(3-bromopropyl)phenol
CID 131214203
3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid
CID 84738183
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine
CID 143634840
3-chloro-4-fluoro-2-(methylaminomethyl)phenol
CID 83877302
3-(2-bromo-6-methylphenyl)-N-methylpropan-1-amine
CID 84737080
2-[(hydroxyamino)methyl]benzene-1,3-diol
CID 117276038
1-(2,6-dimethylphenyl)-N-methylmethanamine;molecular hydrogen
CID 171631907

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(methylaminomethyl)phenol?
The IUPAC name of 3-bromo-2-(methylaminomethyl)phenol (CID 84734958) is 3-bromo-2-(methylaminomethyl)phenol.
What is the SMILES notation for 3-bromo-2-(methylaminomethyl)phenol?
The canonical SMILES for 3-bromo-2-(methylaminomethyl)phenol is CNCc1c(O)cccc1Br.
What is the InChIKey of 3-bromo-2-(methylaminomethyl)phenol?
The InChIKey is RSXHNWXRYGGKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-10-5-6-7(9)3-2-4-8(6)11/h2-4,10-11H,5H2,1H3.
What are the key properties of 3-bromo-2-(methylaminomethyl)phenol?
3-bromo-2-(methylaminomethyl)phenol has a molecular weight of 216.08 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(methylaminomethyl)phenol is sourced from PubChem (CID 84734958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).