2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3,5-dimethylphenol

C10H14BrNO2 — CID 131158931

IUPAC2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3,5-dimethylphenol
SMILESCc1cc(O)c([C@@H](N)CO)c(C)c1Br
InChIInChI=1S/C10H14BrNO2/c1-5-3-8(14)9(7(12)4-13)6(2)10(5)11/h3,7,13-14H,4,12H2,1-2H3/t7-/m0/s1
InChIKeyOVJBWYMGRDCLGP-ZETCQYMHSA-N
MW260.13 g/mol
LogP1.76
Rot. Bonds2

About 2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3,5-dimethylphenol

2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3,5-dimethylphenol (PubChem CID 131158931) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3,5-dimethylphenol
PubChem CID131158931
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3,5-dimethylphenol
SMILESCc1cc(O)c([C@@H](N)CO)c(C)c1Br
InChIInChI=1S/C10H14BrNO2/c1-5-3-8(14)9(7(12)4-13)6(2)10(5)11/h3,7,13-14H,4,12H2,1-2H3/t7-/m0/s1
InChIKeyOVJBWYMGRDCLGP-ZETCQYMHSA-N
XLogP1.76
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.76
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-2,2-dimethylpropyl]-4-bromo-3,5-dimethylphenol;hydrochloride
CID 171254297
2-amino-2-(3-bromo-6-hydroxy-2,4-dimethylphenyl)acetic acid
CID 84810252
2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol
CID 82623841
ethyl (3S)-3-amino-3-(3-bromo-6-hydroxy-2,4-dimethylphenyl)-2-fluoropropanoate;hydrochloride
CID 171257644
2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-5-methylphenol
CID 66515434
1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine
CID 82630244
4-bromo-2,3,5-trimethylphenol
CID 3629334
2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol
CID 84711152
2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol
CID 84803050
2-amino-2-(3-bromo-4-hydroxy-2,6-dimethylphenyl)acetic acid
CID 84713750
1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine
CID 114249229
2-amino-2-(2-bromo-6-methylphenyl)ethanol
CID 130062182

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3,5-dimethylphenol?
The IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3,5-dimethylphenol (CID 131158931) is 2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3,5-dimethylphenol.
What is the SMILES notation for 2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3,5-dimethylphenol?
The canonical SMILES for 2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3,5-dimethylphenol is Cc1cc(O)c([C@@H](N)CO)c(C)c1Br.
What is the InChIKey of 2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3,5-dimethylphenol?
The InChIKey is OVJBWYMGRDCLGP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-5-3-8(14)9(7(12)4-13)6(2)10(5)11/h3,7,13-14H,4,12H2,1-2H3/t7-/m0/s1.
What are the key properties of 2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3,5-dimethylphenol?
2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3,5-dimethylphenol has a molecular weight of 260.13 g/mol, XLogP of 1.76, 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-3,5-dimethylphenol is sourced from PubChem (CID 131158931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).