2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol

C9H12BrNO2 — CID 84803050

IUPAC2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol
SMILESCc1ccc(Br)c(C(N)CO)c1O
InChIInChI=1S/C9H12BrNO2/c1-5-2-3-6(10)8(9(5)13)7(11)4-12/h2-3,7,12-13H,4,11H2,1H3
InChIKeyNVZCDVDCYICRSM-UHFFFAOYSA-N
MW246.10 g/mol
LogP1.46
Rot. Bonds2

About 2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol

2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol (PubChem CID 84803050) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol.

Molecular Properties

Compound Name2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol
PubChem CID84803050
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol
SMILESCc1ccc(Br)c(C(N)CO)c1O
InChIInChI=1S/C9H12BrNO2/c1-5-2-3-6(10)8(9(5)13)7(11)4-12/h2-3,7,12-13H,4,11H2,1H3
InChIKeyNVZCDVDCYICRSM-UHFFFAOYSA-N
XLogP1.46
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-amino-3-methylbutyl]-3-bromo-6-methylphenol;hydrochloride
CID 171252974
2-[(1S)-1-aminobut-3-enyl]-3-bromo-6-methylphenol;hydrochloride
CID 171252956
2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol
CID 66514115
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-bromo-6-methylphenol
CID 131586543
2-amino-2-(2-bromo-6-methylphenyl)ethanol
CID 130062182
2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol
CID 82623841
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol
CID 130950779
2-[(1S)-1-amino-2-fluoroethyl]-3,6-dibromophenol
CID 130822566
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
2-[(S)-amino(thiophen-2-yl)methyl]-3-bromo-6-methylphenol;hydrochloride
CID 171256307
3-(1-amino-2-hydroxyethyl)-6-bromobenzene-1,2-diol
CID 117372646
2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol
CID 84711152

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol?
The IUPAC name of 2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol (CID 84803050) is 2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol.
What is the SMILES notation for 2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol?
The canonical SMILES for 2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol is Cc1ccc(Br)c(C(N)CO)c1O.
What is the InChIKey of 2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol?
The InChIKey is NVZCDVDCYICRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-5-2-3-6(10)8(9(5)13)7(11)4-12/h2-3,7,12-13H,4,11H2,1H3.
What are the key properties of 2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol?
2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol has a molecular weight of 246.10 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol is sourced from PubChem (CID 84803050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).