1-(5-amino-2-bromophenyl)-2-propan-2-yloxyethanone

C11H14BrNO2 — CID 116602793

IUPAC1-(5-amino-2-bromophenyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C11H14BrNO2/c1-7(2)15-6-11(14)9-5-8(13)3-4-10(9)12/h3-5,7H,6,13H2,1-2H3
InChIKeyUBMFICTWMVMBNA-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.64
Rot. Bonds4

About 1-(5-amino-2-bromophenyl)-2-propan-2-yloxyethanone

1-(5-amino-2-bromophenyl)-2-propan-2-yloxyethanone (PubChem CID 116602793) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-(5-amino-2-bromophenyl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(5-amino-2-bromophenyl)-2-propan-2-yloxyethanone
PubChem CID116602793
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name1-(5-amino-2-bromophenyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C11H14BrNO2/c1-7(2)15-6-11(14)9-5-8(13)3-4-10(9)12/h3-5,7H,6,13H2,1-2H3
InChIKeyUBMFICTWMVMBNA-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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-bromo-5-methoxyphenyl)-2-propan-2-yloxyethanone
CID 105117164
1-(5-amino-2-bromophenyl)-3-methylsulfonylpropan-1-one
CID 116602931
1-(5-amino-2-bromophenyl)-4,4-dimethylpentan-1-one
CID 116602750
1-(5-amino-2-bromophenyl)but-3-en-1-one
CID 116602737
1-(5-amino-2-bromophenyl)undecan-1-one
CID 116602809
5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211065
5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide
CID 64568794
5-amino-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81052656
1-(5-amino-2-bromophenyl)-2-cyclopentylethanone
CID 116602873
2,3-dihydroxypropyl 5-amino-2-bromobenzoate
CID 82850096
1-(5-amino-2-bromophenyl)hex-5-yn-1-one
CID 116602831
(2R)-2-[(5-amino-2-bromobenzoyl)amino]-4-methylpentanoic acid
CID 115297303

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-bromophenyl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(5-amino-2-bromophenyl)-2-propan-2-yloxyethanone (CID 116602793) is 1-(5-amino-2-bromophenyl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(5-amino-2-bromophenyl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(5-amino-2-bromophenyl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)c1cc(N)ccc1Br.
What is the InChIKey of 1-(5-amino-2-bromophenyl)-2-propan-2-yloxyethanone?
The InChIKey is UBMFICTWMVMBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7(2)15-6-11(14)9-5-8(13)3-4-10(9)12/h3-5,7H,6,13H2,1-2H3.
What are the key properties of 1-(5-amino-2-bromophenyl)-2-propan-2-yloxyethanone?
1-(5-amino-2-bromophenyl)-2-propan-2-yloxyethanone has a molecular weight of 272.14 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-bromophenyl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 116602793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).