N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline

C17H21NO3 — CID 28612218

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
SMILESCCOc1ccc(CNc2ccccc2OC)cc1OC
InChIInChI=1S/C17H21NO3/c1-4-21-16-10-9-13(11-17(16)20-3)12-18-14-7-5-6-8-15(14)19-2/h5-11,18H,4,12H2,1-3H3
InChIKeyBOQNCWFVPZCVOU-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.71
Rot. Bonds7

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline (PubChem CID 28612218) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
PubChem CID28612218
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
SMILESCCOc1ccc(CNc2ccccc2OC)cc1OC
InChIInChI=1S/C17H21NO3/c1-4-21-16-10-9-13(11-17(16)20-3)12-18-14-7-5-6-8-15(14)19-2/h5-11,18H,4,12H2,1-3H3
InChIKeyBOQNCWFVPZCVOU-UHFFFAOYSA-N
XLogP3.71
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline 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

2-[(4-ethoxy-3-methoxyphenyl)methylamino]benzonitrile
CID 28615869
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline
CID 900370
5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile
CID 65336194
1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 100747631
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline
CID 28890884
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
CID 28609770
5-bromo-2-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]aniline
CID 63478094
3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol
CID 28722983
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine
CID 104600023
2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 126123547
2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408609
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline (CID 28612218) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline is CCOc1ccc(CNc2ccccc2OC)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline?
The InChIKey is BOQNCWFVPZCVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-21-16-10-9-13(11-17(16)20-3)12-18-14-7-5-6-8-15(14)19-2/h5-11,18H,4,12H2,1-3H3.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline has a molecular weight of 287.36 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline is sourced from PubChem (CID 28612218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).