2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol

C9H12BrNO2 — CID 66515433

IUPAC2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol
SMILESCc1cc(Br)cc([C@@H](N)CO)c1O
InChIInChI=1S/C9H12BrNO2/c1-5-2-6(10)3-7(9(5)13)8(11)4-12/h2-3,8,12-13H,4,11H2,1H3/t8-/m0/s1
InChIKeyLZOZXZTZZNGXBD-QMMMGPOBSA-N
MW246.10 g/mol
LogP1.46
Rot. Bonds2

About 2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol

2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol (PubChem CID 66515433) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol
PubChem CID66515433
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol
SMILESCc1cc(Br)cc([C@@H](N)CO)c1O
InChIInChI=1S/C9H12BrNO2/c1-5-2-6(10)3-7(9(5)13)8(11)4-12/h2-3,8,12-13H,4,11H2,1H3/t8-/m0/s1
InChIKeyLZOZXZTZZNGXBD-QMMMGPOBSA-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-[(1R)-1-aminoethyl]-4-bromo-6-methylphenol
CID 130722387
2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol
CID 66515526
2-[(1S)-1-aminoethyl]-4-bromo-6-methylphenol;hydrochloride
CID 171253771
2-[(1S)-1-amino-2-hydroxyethyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205435
2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride
CID 138109643
2-amino-2-(5-bromo-2-hydroxy-3-methylphenyl)acetonitrile
CID 130061907
3-[(1S)-1-amino-2-hydroxyethyl]-4-hydroxy-5-methylbenzoic acid
CID 66514513
6-(1-amino-2-hydroxyethyl)-2-bromo-3-methoxy-4-methylphenol
CID 84810918
6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol
CID 77129959
2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-5-methylphenol
CID 66515434
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol
CID 66515348
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-tert-butylphenol
CID 66515741

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol?
The IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol (CID 66515433) is 2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol.
What is the SMILES notation for 2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol?
The canonical SMILES for 2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol is Cc1cc(Br)cc([C@@H](N)CO)c1O.
What is the InChIKey of 2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol?
The InChIKey is LZOZXZTZZNGXBD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-5-2-6(10)3-7(9(5)13)8(11)4-12/h2-3,8,12-13H,4,11H2,1H3/t8-/m0/s1.
What are the key properties of 2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol?
2-[(1R)-1-amino-2-hydroxyethyl]-4-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-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol is sourced from PubChem (CID 66515433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).