1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]ethanone

C17H20N2O3 — CID 82258345

IUPAC1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]ethanone
SMILESCOc1ccc(CNCC(=O)c2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C17H20N2O3/c1-21-14-6-3-12(4-7-14)10-19-11-16(20)13-5-8-17(22-2)15(18)9-13/h3-9,19H,10-11,18H2,1-2H3
InChIKeyRPILSKLJAKMBJC-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.26
Rot. Bonds7

About 1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]ethanone

1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]ethanone (PubChem CID 82258345) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]ethanone
PubChem CID82258345
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]ethanone
SMILESCOc1ccc(CNCC(=O)c2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C17H20N2O3/c1-21-14-6-3-12(4-7-14)10-19-11-16(20)13-5-8-17(22-2)15(18)9-13/h3-9,19H,10-11,18H2,1-2H3
InChIKeyRPILSKLJAKMBJC-UHFFFAOYSA-N
XLogP2.26
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]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-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone
CID 82258331
1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]-2-hydroxyethanone
CID 70645632
[2-(4-methoxyanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 53270028
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid
CID 17365906
2-(1,3-benzodioxol-5-ylmethylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 110824956
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
3-amino-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 61102737
1-[(4-methoxyphenyl)methylamino]-3-methylbutan-2-one
CID 177295585
2-[(4-methoxyphenyl)methylamino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824502
4-[(3-amino-4-methoxyphenyl)methoxy]benzamide
CID 28557381
2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline
CID 82257451
1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
CID 110830006

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]ethanone?
The IUPAC name of 1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]ethanone (CID 82258345) is 1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]ethanone.
What is the SMILES notation for 1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]ethanone?
The canonical SMILES for 1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]ethanone is COc1ccc(CNCC(=O)c2ccc(OC)c(N)c2)cc1.
What is the InChIKey of 1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]ethanone?
The InChIKey is RPILSKLJAKMBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-14-6-3-12(4-7-14)10-19-11-16(20)13-5-8-17(22-2)15(18)9-13/h3-9,19H,10-11,18H2,1-2H3.
What are the key properties of 1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]ethanone?
1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]ethanone has a molecular weight of 300.36 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]ethanone is sourced from PubChem (CID 82258345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).