1-amino-1-(2-bromophenyl)propan-2-one

C9H10BrNO — CID 116859743

IUPAC1-amino-1-(2-bromophenyl)propan-2-one
SMILESCC(=O)C(N)c1ccccc1Br
InChIInChI=1S/C9H10BrNO/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-5,9H,11H2,1H3
InChIKeySPTGYNYLOROFGO-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.04
Rot. Bonds2

About 1-amino-1-(2-bromophenyl)propan-2-one

1-amino-1-(2-bromophenyl)propan-2-one (PubChem CID 116859743) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 1-amino-1-(2-bromophenyl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(2-bromophenyl)propan-2-one
PubChem CID116859743
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name1-amino-1-(2-bromophenyl)propan-2-one
SMILESCC(=O)C(N)c1ccccc1Br
InChIInChI=1S/C9H10BrNO/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-5,9H,11H2,1H3
InChIKeySPTGYNYLOROFGO-UHFFFAOYSA-N
XLogP2.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-(2-methylphenyl)propan-2-one
CID 55295097
1-amino-1-(2-ethylphenyl)propan-2-one
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CID 55294703
(2-bromophenyl)methanediamine
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2-amino-1-(2-bromophenyl)propane-1-sulfonic acid
CID 141352455
propan-2-yl 2-acetyl-3-(2-bromophenyl)butanoate
CID 18371050
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
[(1S)-1-(2-bromophenyl)ethyl] acetate
CID 130609094
1-amino-1-(1H-indol-7-yl)propan-2-one
CID 55270531
3-(3-bromo-2-fluorophenyl)butan-2-one
CID 117046957
3,5-bis(2-bromophenyl)-2,6-dimethylheptan-4-one
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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-bromophenyl)propan-2-one?
The IUPAC name of 1-amino-1-(2-bromophenyl)propan-2-one (CID 116859743) is 1-amino-1-(2-bromophenyl)propan-2-one.
What is the SMILES notation for 1-amino-1-(2-bromophenyl)propan-2-one?
The canonical SMILES for 1-amino-1-(2-bromophenyl)propan-2-one is CC(=O)C(N)c1ccccc1Br.
What is the InChIKey of 1-amino-1-(2-bromophenyl)propan-2-one?
The InChIKey is SPTGYNYLOROFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-5,9H,11H2,1H3.
What are the key properties of 1-amino-1-(2-bromophenyl)propan-2-one?
1-amino-1-(2-bromophenyl)propan-2-one has a molecular weight of 228.09 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-bromophenyl)propan-2-one is sourced from PubChem (CID 116859743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).