3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one

C11H14BrNO2 — CID 117432660

IUPAC3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one
SMILESCCc1cc(Br)c(O)c(C(=O)CCN)c1
InChIInChI=1S/C11H14BrNO2/c1-2-7-5-8(10(14)3-4-13)11(15)9(12)6-7/h5-6,15H,2-4,13H2,1H3
InChIKeyYYPPDSUHFSEVSS-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.25
Rot. Bonds4

About 3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one

3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one (PubChem CID 117432660) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one
PubChem CID117432660
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one
SMILESCCc1cc(Br)c(O)c(C(=O)CCN)c1
InChIInChI=1S/C11H14BrNO2/c1-2-7-5-8(10(14)3-4-13)11(15)9(12)6-7/h5-6,15H,2-4,13H2,1H3
InChIKeyYYPPDSUHFSEVSS-UHFFFAOYSA-N
XLogP2.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one
CID 117303820
3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one
CID 117398348
ethyl 4-[3-bromo-2-hydroxy-5-(2-phenylethyl)phenyl]-4-oxobutanoate
CID 162742853
2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone
CID 117403867
3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one
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3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one
CID 117313299
1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one
CID 62381220
3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one
CID 84810800
3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one
CID 117432655
3-amino-1-(5-tert-butyl-2,3-dihydroxyphenyl)propan-1-one
CID 117347056
3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one
CID 84805179
3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one
CID 117437436

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one (CID 117432660) is 3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one is CCc1cc(Br)c(O)c(C(=O)CCN)c1.
What is the InChIKey of 3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one?
The InChIKey is YYPPDSUHFSEVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-2-7-5-8(10(14)3-4-13)11(15)9(12)6-7/h5-6,15H,2-4,13H2,1H3.
What are the key properties of 3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one?
3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one has a molecular weight of 272.14 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 117432660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).