1-(2-amino-4,5-dimethoxyphenyl)propan-1-one

C11H15NO3 — CID 7148511

IUPAC1-(2-amino-4,5-dimethoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C11H15NO3/c1-4-9(13)7-5-10(14-2)11(15-3)6-8(7)12/h5-6H,4,12H2,1-3H3
InChIKeyOSZLLSFVPZYETG-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.88
Rot. Bonds4

About 1-(2-amino-4,5-dimethoxyphenyl)propan-1-one

1-(2-amino-4,5-dimethoxyphenyl)propan-1-one (PubChem CID 7148511) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-(2-amino-4,5-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-amino-4,5-dimethoxyphenyl)propan-1-one
PubChem CID7148511
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-(2-amino-4,5-dimethoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C11H15NO3/c1-4-9(13)7-5-10(14-2)11(15-3)6-8(7)12/h5-6H,4,12H2,1-3H3
InChIKeyOSZLLSFVPZYETG-UHFFFAOYSA-N
XLogP1.88
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one
CID 165444384
1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one
CID 167626065
2-amino-N,N-diethyl-4,5-dimethoxybenzamide
CID 16776188
1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one
CID 175263990
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831
2-amino-4,5-dimethoxy-N-methylbenzohydrazide
CID 145124941
2-amino-4,5-dihydroxybenzoic acid;2-amino-4,5-dimethoxybenzoic acid
CID 159164706
2-amino-4-methoxy-5-pentoxybenzoic acid
CID 43380063
prop-2-enyl 2-amino-4,5-dimethoxybenzoate
CID 19432548
2-amino-N-cyclopropyl-N-ethyl-4,5-dimethoxybenzamide
CID 43263713
1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone
CID 10823895

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,5-dimethoxyphenyl)propan-1-one?
The IUPAC name of 1-(2-amino-4,5-dimethoxyphenyl)propan-1-one (CID 7148511) is 1-(2-amino-4,5-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2-amino-4,5-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 1-(2-amino-4,5-dimethoxyphenyl)propan-1-one is CCC(=O)c1cc(OC)c(OC)cc1N.
What is the InChIKey of 1-(2-amino-4,5-dimethoxyphenyl)propan-1-one?
The InChIKey is OSZLLSFVPZYETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-9(13)7-5-10(14-2)11(15-3)6-8(7)12/h5-6H,4,12H2,1-3H3.
What are the key properties of 1-(2-amino-4,5-dimethoxyphenyl)propan-1-one?
1-(2-amino-4,5-dimethoxyphenyl)propan-1-one has a molecular weight of 209.24 g/mol, XLogP of 1.88, 4 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)propan-1-one is sourced from PubChem (CID 7148511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).