1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide

C10H14BrNO3 — CID 172866698

IUPAC1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
SMILESBr.COc1cc(N)c(C(C)=O)cc1OC
InChIInChI=1S/C10H13NO3.BrH/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11;/h4-5H,11H2,1-3H3;1H
InChIKeyAAEWIJCIRUWQAE-UHFFFAOYSA-N
MW276.13 g/mol
LogP2.07
Rot. Bonds3

About 1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide

1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide (PubChem CID 172866698) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide.

Molecular Properties

Compound Name1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
PubChem CID172866698
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
SMILESBr.COc1cc(N)c(C(C)=O)cc1OC
InChIInChI=1S/C10H13NO3.BrH/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11;/h4-5H,11H2,1-3H3;1H
InChIKeyAAEWIJCIRUWQAE-UHFFFAOYSA-N
XLogP2.07
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone
CID 10823895
2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831
1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone
CID 131302310
1-(2-amino-4,5-dimethoxyphenyl)propan-1-one
CID 7148511
1-(2,4,5-triaminophenyl)ethanone
CID 163413679
1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
CID 53402810
2-amino-4,5-dimethoxy-N-methylbenzohydrazide
CID 145124941
2-amino-4,5-dihydroxybenzoic acid;2-amino-4,5-dimethoxybenzoic acid
CID 159164706
prop-2-enyl 2-amino-4,5-dimethoxybenzoate
CID 19432548
methyl 2-amino-4-methoxy-5-propan-2-yloxybenzoate
CID 84799543
2-amino-4,5-dimethoxybenzenecarbothioamide
CID 82673739
2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide
CID 43825333

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide?
The IUPAC name of 1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide (CID 172866698) is 1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide.
What is the SMILES notation for 1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide?
The canonical SMILES for 1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide is Br.COc1cc(N)c(C(C)=O)cc1OC.
What is the InChIKey of 1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide?
The InChIKey is AAEWIJCIRUWQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.BrH/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11;/h4-5H,11H2,1-3H3;1H.
What are the key properties of 1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide?
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide has a molecular weight of 276.13 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide is sourced from PubChem (CID 172866698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).