2-amino-2-(2-bromo-6-methylphenyl)ethanol

C9H12BrNO — CID 130062182

IUPAC2-amino-2-(2-bromo-6-methylphenyl)ethanol
SMILESCc1cccc(Br)c1C(N)CO
InChIInChI=1S/C9H12BrNO/c1-6-3-2-4-7(10)9(6)8(11)5-12/h2-4,8,12H,5,11H2,1H3
InChIKeyNKUFDHSXEFTYHG-UHFFFAOYSA-N
MW230.10 g/mol
LogP1.75
Rot. Bonds2

About 2-amino-2-(2-bromo-6-methylphenyl)ethanol

2-amino-2-(2-bromo-6-methylphenyl)ethanol (PubChem CID 130062182) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-amino-2-(2-bromo-6-methylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-bromo-6-methylphenyl)ethanol
PubChem CID130062182
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-amino-2-(2-bromo-6-methylphenyl)ethanol
SMILESCc1cccc(Br)c1C(N)CO
InChIInChI=1S/C9H12BrNO/c1-6-3-2-4-7(10)9(6)8(11)5-12/h2-4,8,12H,5,11H2,1H3
InChIKeyNKUFDHSXEFTYHG-UHFFFAOYSA-N
XLogP1.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-bromo-6-methylphenyl)propan-1-amine
CID 130632394
2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol
CID 130042273
2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol
CID 84803050
(2S)-2-amino-2-(2-methoxy-6-methylphenyl)ethanol
CID 638516
2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol
CID 83901907
2-[(1S)-1-amino-2-hydroxyethyl]-3-methylbenzoic acid
CID 66513881
(3S)-3-amino-3-(2,6-dimethylphenyl)propan-1-ol
CID 130664971
1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
CID 14113190
1-bromo-2-(difluoromethyl)-3-methylbenzene
CID 84686328
2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol
CID 66513524
1-(2-bromo-6-fluorophenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 114886689
2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol
CID 82623841

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-bromo-6-methylphenyl)ethanol?
The IUPAC name of 2-amino-2-(2-bromo-6-methylphenyl)ethanol (CID 130062182) is 2-amino-2-(2-bromo-6-methylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(2-bromo-6-methylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(2-bromo-6-methylphenyl)ethanol is Cc1cccc(Br)c1C(N)CO.
What is the InChIKey of 2-amino-2-(2-bromo-6-methylphenyl)ethanol?
The InChIKey is NKUFDHSXEFTYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6-3-2-4-7(10)9(6)8(11)5-12/h2-4,8,12H,5,11H2,1H3.
What are the key properties of 2-amino-2-(2-bromo-6-methylphenyl)ethanol?
2-amino-2-(2-bromo-6-methylphenyl)ethanol has a molecular weight of 230.10 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-bromo-6-methylphenyl)ethanol is sourced from PubChem (CID 130062182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).