2-amino-1-(4-bromo-3-hydroxyphenyl)propan-1-one

C9H10BrNO2 — CID 84802384

IUPAC2-amino-1-(4-bromo-3-hydroxyphenyl)propan-1-one
SMILESCC(N)C(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C9H10BrNO2/c1-5(11)9(13)6-2-3-7(10)8(12)4-6/h2-5,12H,11H2,1H3
InChIKeyFARCMAPIDNHMHS-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.68
Rot. Bonds2

About 2-amino-1-(4-bromo-3-hydroxyphenyl)propan-1-one

2-amino-1-(4-bromo-3-hydroxyphenyl)propan-1-one (PubChem CID 84802384) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-3-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-bromo-3-hydroxyphenyl)propan-1-one
PubChem CID84802384
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name2-amino-1-(4-bromo-3-hydroxyphenyl)propan-1-one
SMILESCC(N)C(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C9H10BrNO2/c1-5(11)9(13)6-2-3-7(10)8(12)4-6/h2-5,12H,11H2,1H3
InChIKeyFARCMAPIDNHMHS-UHFFFAOYSA-N
XLogP1.68
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2-bromo-5-hydroxyphenyl)propan-1-one
CID 84704257
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(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
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2-amino-1-(3-hydroxyphenyl)propan-1-one;hydrochloride
CID 22601034
4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide
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4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103873373
2-[(4-bromo-3-hydroxybenzoyl)-propan-2-ylamino]acetic acid
CID 114103223
4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103874700
5-[(4-bromo-3-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 114103351
4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 103873277
2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
CID 171323399
(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-3-hydroxyphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(4-bromo-3-hydroxyphenyl)propan-1-one (CID 84802384) is 2-amino-1-(4-bromo-3-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(4-bromo-3-hydroxyphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(4-bromo-3-hydroxyphenyl)propan-1-one is CC(N)C(=O)c1ccc(Br)c(O)c1.
What is the InChIKey of 2-amino-1-(4-bromo-3-hydroxyphenyl)propan-1-one?
The InChIKey is FARCMAPIDNHMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-5(11)9(13)6-2-3-7(10)8(12)4-6/h2-5,12H,11H2,1H3.
What are the key properties of 2-amino-1-(4-bromo-3-hydroxyphenyl)propan-1-one?
2-amino-1-(4-bromo-3-hydroxyphenyl)propan-1-one has a molecular weight of 244.09 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-3-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 84802384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).