2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone

C10H12BrNO2 — CID 82623539

IUPAC2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
SMILESCOc1c(Br)cc(C)cc1C(=O)CN
InChIInChI=1S/C10H12BrNO2/c1-6-3-7(9(13)5-12)10(14-2)8(11)4-6/h3-4H,5,12H2,1-2H3
InChIKeyXXICOZPQNHKDHH-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.91
Rot. Bonds3

About 2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone

2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone (PubChem CID 82623539) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
PubChem CID82623539
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
SMILESCOc1c(Br)cc(C)cc1C(=O)CN
InChIInChI=1S/C10H12BrNO2/c1-6-3-7(9(13)5-12)10(14-2)8(11)4-6/h3-4H,5,12H2,1-2H3
InChIKeyXXICOZPQNHKDHH-UHFFFAOYSA-N
XLogP1.91
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82630845
2-amino-1-(5-bromo-2-methoxy-3-propan-2-ylphenyl)ethanone
CID 117461159
(3-bromo-2-methoxy-5-methylphenyl)-pyrrolidin-1-ylmethanone
CID 50883166
ethyl 2-(3-bromo-2-methoxy-5-methylphenyl)acetate
CID 13360648
2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone
CID 82625822
2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone
CID 84704798
2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone
CID 84801504
(3-bromo-2-methoxy-5-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 50882656
4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one
CID 82341665
2-amino-1-(2,3,5-trimethylphenyl)ethanone
CID 117277600
2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
CID 117326430
1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one
CID 82630867

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone (CID 82623539) is 2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone is COc1c(Br)cc(C)cc1C(=O)CN.
What is the InChIKey of 2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone?
The InChIKey is XXICOZPQNHKDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-6-3-7(9(13)5-12)10(14-2)8(11)4-6/h3-4H,5,12H2,1-2H3.
What are the key properties of 2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone?
2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone has a molecular weight of 258.11 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone is sourced from PubChem (CID 82623539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).