2-amino-1-(2-bromo-5-hydroxy-3-methylphenyl)propan-1-one

C10H12BrNO2 — CID 84805736

IUPAC2-amino-1-(2-bromo-5-hydroxy-3-methylphenyl)propan-1-one
SMILESCc1cc(O)cc(C(=O)C(C)N)c1Br
InChIInChI=1S/C10H12BrNO2/c1-5-3-7(13)4-8(9(5)11)10(14)6(2)12/h3-4,6,13H,12H2,1-2H3
InChIKeySYHIVOVMCTUTQS-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.99
Rot. Bonds2

About 2-amino-1-(2-bromo-5-hydroxy-3-methylphenyl)propan-1-one

2-amino-1-(2-bromo-5-hydroxy-3-methylphenyl)propan-1-one (PubChem CID 84805736) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-amino-1-(2-bromo-5-hydroxy-3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-bromo-5-hydroxy-3-methylphenyl)propan-1-one
PubChem CID84805736
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-amino-1-(2-bromo-5-hydroxy-3-methylphenyl)propan-1-one
SMILESCc1cc(O)cc(C(=O)C(C)N)c1Br
InChIInChI=1S/C10H12BrNO2/c1-5-3-7(13)4-8(9(5)11)10(14)6(2)12/h3-4,6,13H,12H2,1-2H3
InChIKeySYHIVOVMCTUTQS-UHFFFAOYSA-N
XLogP1.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-hydroxy-3-methylbenzoic acid
CID 66726623
2-amino-1-(2-bromo-5-hydroxyphenyl)propan-1-one
CID 84704257
2-amino-1-(4-bromo-2-fluoro-5-methylphenyl)propan-1-one
CID 84806363
(2S)-2-amino-1-(2,4,6-trihydroxyphenyl)propan-1-one
CID 118469870
2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one
CID 84806362
2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one
CID 83827929
2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one
CID 82493916
2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one
CID 84705510
2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one
CID 84710830
(2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide
CID 107574322
3-amino-2-(2-bromo-5-hydroxy-3-methylphenyl)propanoic acid
CID 84810210
2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one
CID 82613244

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-bromo-5-hydroxy-3-methylphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(2-bromo-5-hydroxy-3-methylphenyl)propan-1-one (CID 84805736) is 2-amino-1-(2-bromo-5-hydroxy-3-methylphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-bromo-5-hydroxy-3-methylphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-bromo-5-hydroxy-3-methylphenyl)propan-1-one is Cc1cc(O)cc(C(=O)C(C)N)c1Br.
What is the InChIKey of 2-amino-1-(2-bromo-5-hydroxy-3-methylphenyl)propan-1-one?
The InChIKey is SYHIVOVMCTUTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-5-3-7(13)4-8(9(5)11)10(14)6(2)12/h3-4,6,13H,12H2,1-2H3.
What are the key properties of 2-amino-1-(2-bromo-5-hydroxy-3-methylphenyl)propan-1-one?
2-amino-1-(2-bromo-5-hydroxy-3-methylphenyl)propan-1-one has a molecular weight of 258.11 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-bromo-5-hydroxy-3-methylphenyl)propan-1-one is sourced from PubChem (CID 84805736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).