1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one

C11H14BrNO2 — CID 175263990

IUPAC1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one
SMILESCCOc1cc(N)c(C(=O)CC)cc1Br
InChIInChI=1S/C11H14BrNO2/c1-3-10(14)7-5-8(12)11(15-4-2)6-9(7)13/h5-6H,3-4,13H2,1-2H3
InChIKeyUWQLOYOTIVIVEB-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.02
Rot. Bonds4

About 1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one

1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one (PubChem CID 175263990) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one
PubChem CID175263990
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one
SMILESCCOc1cc(N)c(C(=O)CC)cc1Br
InChIInChI=1S/C11H14BrNO2/c1-3-10(14)7-5-8(12)11(15-4-2)6-9(7)13/h5-6H,3-4,13H2,1-2H3
InChIKeyUWQLOYOTIVIVEB-UHFFFAOYSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4,5-dimethoxyphenyl)propan-1-one
CID 7148511
1-(5-bromo-2,4-diethoxyphenyl)ethanone
CID 17245123
1-(2-amino-4-bromo-5-methylphenyl)propan-1-one
CID 165442529
ethyl 2,5-dibromo-4-propanoylbenzoate
CID 142541176
1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one
CID 165444384
1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one
CID 82053867
(2-amino-4,5-difluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662551
(3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662563
propyl 2-amino-5-bromo-4-methoxybenzoate
CID 79401743
(4-amino-3-propanoylphenyl) propanoate
CID 54010386
2,6-dibromo-5-ethoxypyridin-3-amine
CID 26369890
4-bromo-5-ethoxypyridin-2-amine
CID 135394478

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one?
The IUPAC name of 1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one (CID 175263990) is 1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one?
The canonical SMILES for 1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one is CCOc1cc(N)c(C(=O)CC)cc1Br.
What is the InChIKey of 1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one?
The InChIKey is UWQLOYOTIVIVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-3-10(14)7-5-8(12)11(15-4-2)6-9(7)13/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one?
1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one has a molecular weight of 272.14 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one is sourced from PubChem (CID 175263990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).