2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one

C10H12BrNO2 — CID 84709286

IUPAC2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one
SMILESCOc1cccc(Br)c1C(=O)C(C)N
InChIInChI=1S/C10H12BrNO2/c1-6(12)10(13)9-7(11)4-3-5-8(9)14-2/h3-6H,12H2,1-2H3
InChIKeyBIOIOURCKQXTER-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.99
Rot. Bonds3

About 2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one

2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one (PubChem CID 84709286) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is 2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one
PubChem CID84709286
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC Name2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one
SMILESCOc1cccc(Br)c1C(=O)C(C)N
InChIInChI=1S/C10H12BrNO2/c1-6(12)10(13)9-7(11)4-3-5-8(9)14-2/h3-6H,12H2,1-2H3
InChIKeyBIOIOURCKQXTER-UHFFFAOYSA-N
XLogP1.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
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1-(2-bromo-6-methoxyphenyl)-3-chloropropan-1-one
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(2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid
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(2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine
CID 130691963
2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one
CID 84814233
3-(2-bromo-6-methoxyphenyl)-3-oxopropanenitrile
CID 153381052
4-amino-4-(2-bromo-6-methoxyphenyl)butanoic acid
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2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one
CID 84688281
methyl 3-(2-bromo-6-fluorophenyl)-2-methyl-3-oxopropanoate
CID 114887659
2-bromo-6-methoxy-N-propylbenzamide
CID 171934574

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one (CID 84709286) is 2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one is COc1cccc(Br)c1C(=O)C(C)N.
What is the InChIKey of 2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one?
The InChIKey is BIOIOURCKQXTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-6(12)10(13)9-7(11)4-3-5-8(9)14-2/h3-6H,12H2,1-2H3.
What are the key properties of 2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one?
2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one has a molecular weight of 258.12 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one is sourced from PubChem (CID 84709286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).