2-amino-1-(3-bromo-5-methoxyphenyl)ethanone

C9H10BrNO2 — CID 83720839

IUPAC2-amino-1-(3-bromo-5-methoxyphenyl)ethanone
SMILESCOc1cc(Br)cc(C(=O)CN)c1
InChIInChI=1S/C9H10BrNO2/c1-13-8-3-6(9(12)5-11)2-7(10)4-8/h2-4H,5,11H2,1H3
InChIKeyRQMACKFTURVKMB-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.60
Rot. Bonds3

About 2-amino-1-(3-bromo-5-methoxyphenyl)ethanone

2-amino-1-(3-bromo-5-methoxyphenyl)ethanone (PubChem CID 83720839) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-5-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-bromo-5-methoxyphenyl)ethanone
PubChem CID83720839
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name2-amino-1-(3-bromo-5-methoxyphenyl)ethanone
SMILESCOc1cc(Br)cc(C(=O)CN)c1
InChIInChI=1S/C9H10BrNO2/c1-13-8-3-6(9(12)5-11)2-7(10)4-8/h2-4H,5,11H2,1H3
InChIKeyRQMACKFTURVKMB-UHFFFAOYSA-N
XLogP1.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-(3-bromo-5-methoxyphenyl)propan-1-one
CID 134658371
(3-bromo-5-methoxyphenyl)-phenylmethanone
CID 169228126
3-bromo-5-methoxy-N-propan-2-ylbenzamide
CID 138985588
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone
CID 84666732
2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603
ethyl 3-(3-bromo-5-methoxyphenyl)prop-2-enoate
CID 78141627
lithium (Z)-1-(3-bromo-5-methoxyphenyl)-4-ethoxy-3,4-dioxobut-1-en-1-olate
CID 140670992
2-chloro-1-(3,5-dimethoxyphenyl)ethanone
CID 12526559
(3-bromo-5-methoxyphenyl)methanamine
CID 53414441
3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide
CID 82867396
2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
CID 22281599

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-5-methoxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-bromo-5-methoxyphenyl)ethanone (CID 83720839) is 2-amino-1-(3-bromo-5-methoxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-bromo-5-methoxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-bromo-5-methoxyphenyl)ethanone is COc1cc(Br)cc(C(=O)CN)c1.
What is the InChIKey of 2-amino-1-(3-bromo-5-methoxyphenyl)ethanone?
The InChIKey is RQMACKFTURVKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-13-8-3-6(9(12)5-11)2-7(10)4-8/h2-4H,5,11H2,1H3.
What are the key properties of 2-amino-1-(3-bromo-5-methoxyphenyl)ethanone?
2-amino-1-(3-bromo-5-methoxyphenyl)ethanone has a molecular weight of 244.09 g/mol, XLogP of 1.60, 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-5-methoxyphenyl)ethanone is sourced from PubChem (CID 83720839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).