2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol

C9H12BrNO2 — CID 130741127

IUPAC2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol
SMILESCN[C@H](CO)c1cccc(Br)c1O
InChIInChI=1S/C9H12BrNO2/c1-11-8(5-12)6-3-2-4-7(10)9(6)13/h2-4,8,11-13H,5H2,1H3/t8-/m1/s1
InChIKeyMPDIFHQKJANMHY-MRVPVSSYSA-N
MW246.10 g/mol
LogP1.41
Rot. Bonds3

About 2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol

2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol (PubChem CID 130741127) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol
PubChem CID130741127
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol
SMILESCN[C@H](CO)c1cccc(Br)c1O
InChIInChI=1S/C9H12BrNO2/c1-11-8(5-12)6-3-2-4-7(10)9(6)13/h2-4,8,11-13H,5H2,1H3/t8-/m1/s1
InChIKeyMPDIFHQKJANMHY-MRVPVSSYSA-N
XLogP1.41
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]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

(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
CID 93471242
(2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol
CID 131031091
2-(3-bromo-2-chlorophenyl)-2-(methylamino)ethanol
CID 130041390
3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol
CID 130722281
2-bromo-6-propan-2-ylphenol
CID 14663965
(2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 130642132
3-(2-bromophenyl)-3-(methylamino)propan-1-ol
CID 64815328
(2R)-2-(2,5-dibromophenyl)-2-(methylamino)ethanol
CID 131062673
1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859236
2-(2-ethylphenyl)-2-(methylamino)ethanol
CID 62415682
(2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol
CID 55276460
(2R)-2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 130706318

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol?
The IUPAC name of 2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol (CID 130741127) is 2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol.
What is the SMILES notation for 2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol?
The canonical SMILES for 2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol is CN[C@H](CO)c1cccc(Br)c1O.
What is the InChIKey of 2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol?
The InChIKey is MPDIFHQKJANMHY-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-11-8(5-12)6-3-2-4-7(10)9(6)13/h2-4,8,11-13H,5H2,1H3/t8-/m1/s1.
What are the key properties of 2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol?
2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol has a molecular weight of 246.10 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol is sourced from PubChem (CID 130741127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).