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

C16H17NO3 — CID 107469155

IUPAC1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2cccc(OC)c2N)c1
InChIInChI=1S/C16H17NO3/c1-19-12-6-3-5-11(9-12)10-14(18)13-7-4-8-15(20-2)16(13)17/h3-9H,10,17H2,1-2H3
InChIKeyOSWQJRDLWQADHF-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.71
Rot. Bonds5

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

1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone (PubChem CID 107469155) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
PubChem CID107469155
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2cccc(OC)c2N)c1
InChIInChI=1S/C16H17NO3/c1-19-12-6-3-5-11(9-12)10-14(18)13-7-4-8-15(20-2)16(13)17/h3-9H,10,17H2,1-2H3
InChIKeyOSWQJRDLWQADHF-UHFFFAOYSA-N
XLogP2.71
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone 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-3-methoxyphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107469003
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102
2-amino-1-(2-amino-3-methoxyphenyl)ethanone
CID 105438693
2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone
CID 79217516
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 61078244
1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 107469152
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122443
1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 15126648

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone (CID 107469155) is 1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)c2cccc(OC)c2N)c1.
What is the InChIKey of 1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
The InChIKey is OSWQJRDLWQADHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-12-6-3-5-11(9-12)10-14(18)13-7-4-8-15(20-2)16(13)17/h3-9H,10,17H2,1-2H3.
What are the key properties of 1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone has a molecular weight of 271.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 107469155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).