2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol

C10H14BrNO2 — CID 82623841

IUPAC2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol
SMILESCc1cc(Br)c(C)c(O)c1C(N)CO
InChIInChI=1S/C10H14BrNO2/c1-5-3-7(11)6(2)10(14)9(5)8(12)4-13/h3,8,13-14H,4,12H2,1-2H3
InChIKeyZNCATQUTVHTQHW-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.76
Rot. Bonds2

About 2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol

2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol (PubChem CID 82623841) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol.

Molecular Properties

Compound Name2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol
PubChem CID82623841
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol
SMILESCc1cc(Br)c(C)c(O)c1C(N)CO
InChIInChI=1S/C10H14BrNO2/c1-5-3-7(11)6(2)10(14)9(5)8(12)4-13/h3,8,13-14H,4,12H2,1-2H3
InChIKeyZNCATQUTVHTQHW-UHFFFAOYSA-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-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol
CID 84711152
2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol
CID 84803050
2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3,5-dimethylphenol
CID 131158931
2-amino-2-(2-bromo-6-methylphenyl)ethanol
CID 130062182
4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol
CID 117401010
2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol
CID 66515433
2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-5-methylphenol
CID 66515434
2-amino-2-(6-bromo-5-methyl-1,3-benzodioxol-4-yl)ethanol
CID 117437407
2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol
CID 117398502
6-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3-methyl-2-nitrophenol
CID 66515634
3,5-dibromo-2,6-dimethylphenol
CID 13108684
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol
CID 66515348

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol?
The IUPAC name of 2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol (CID 82623841) is 2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol.
What is the SMILES notation for 2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol?
The canonical SMILES for 2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol is Cc1cc(Br)c(C)c(O)c1C(N)CO.
What is the InChIKey of 2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol?
The InChIKey is ZNCATQUTVHTQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-5-3-7(11)6(2)10(14)9(5)8(12)4-13/h3,8,13-14H,4,12H2,1-2H3.
What are the key properties of 2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol?
2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-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-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol is sourced from PubChem (CID 82623841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).