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

C10H13NO3 — CID 602085

IUPAC1-(2-amino-4,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(N)c(C(C)=O)cc1OC
InChIInChI=1S/C10H13NO3/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11/h4-5H,11H2,1-3H3
InChIKeyKGKWXEGYKGTMAK-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.49
Rot. Bonds3

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

1-(2-amino-4,5-dimethoxyphenyl)ethanone (PubChem CID 602085) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(2-amino-4,5-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4,5-dimethoxyphenyl)ethanone
PubChem CID602085
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-(2-amino-4,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(N)c(C(C)=O)cc1OC
InChIInChI=1S/C10H13NO3/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11/h4-5H,11H2,1-3H3
InChIKeyKGKWXEGYKGTMAK-UHFFFAOYSA-N
XLogP1.49
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,5-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(2-amino-4,5-dimethoxyphenyl)ethanone (CID 602085) is 1-(2-amino-4,5-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-4,5-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(2-amino-4,5-dimethoxyphenyl)ethanone is COc1cc(N)c(C(C)=O)cc1OC.
What is the InChIKey of 1-(2-amino-4,5-dimethoxyphenyl)ethanone?
The InChIKey is KGKWXEGYKGTMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11/h4-5H,11H2,1-3H3.
What are the key properties of 1-(2-amino-4,5-dimethoxyphenyl)ethanone?
1-(2-amino-4,5-dimethoxyphenyl)ethanone has a molecular weight of 195.22 g/mol, XLogP of 1.49, 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 is sourced from PubChem (CID 602085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).