1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one

C10H12BrNO — CID 69226000

IUPAC1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one
SMILESCC(C)(Br)C(=O)c1ccc(N)cc1
InChIInChI=1S/C10H12BrNO/c1-10(2,11)9(13)7-3-5-8(12)6-4-7/h3-6H,12H2,1-2H3
InChIKeyRBAZMBTUCRXWOU-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.62
Rot. Bonds2

About 1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one

1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one (PubChem CID 69226000) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one
PubChem CID69226000
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one
SMILESCC(C)(Br)C(=O)c1ccc(N)cc1
InChIInChI=1S/C10H12BrNO/c1-10(2,11)9(13)7-3-5-8(12)6-4-7/h3-6H,12H2,1-2H3
InChIKeyRBAZMBTUCRXWOU-UHFFFAOYSA-N
XLogP2.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 13113175
2-bromo-2-methyl-1-(4-methylsulfinylphenyl)propan-1-one
CID 54102066
4-aminobenzoic acid;hydrofluoride
CID 159690577
1-(4-aminophenyl)-2-(diethylamino)-2-hydroxypropan-1-one;iodomethane
CID 70615089
4-aminobenzamide;methanol
CID 144801245
bis(4-aminobenzoic acid);ethene
CID 158776608
tert-butyl 2-(4-aminophenyl)-2-oxoacetate
CID 167721282
(4-aminophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66478608
4-aminobenzenecarbothioic S-acid
CID 18539755
bis(1-(4-aminophenyl)ethanone);yttrium
CID 58212341
1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103311154
1-(4-aminophenyl)propan-1-one
CID 6270

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one?
The IUPAC name of 1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one (CID 69226000) is 1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one?
The canonical SMILES for 1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one is CC(C)(Br)C(=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one?
The InChIKey is RBAZMBTUCRXWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-10(2,11)9(13)7-3-5-8(12)6-4-7/h3-6H,12H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one?
1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one has a molecular weight of 242.12 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one is sourced from PubChem (CID 69226000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).