2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline

C16H19NO3 — CID 18316983

IUPAC2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C16H19NO3/c1-18-13-6-4-12(5-7-13)11-17-15-9-8-14(19-2)10-16(15)20-3/h4-10,17H,11H2,1-3H3
InChIKeyZWBALZVBLVYKMW-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.32
Rot. Bonds6

About 2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline

2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline (PubChem CID 18316983) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
PubChem CID18316983
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C16H19NO3/c1-18-13-6-4-12(5-7-13)11-17-15-9-8-14(19-2)10-16(15)20-3/h4-10,17H,11H2,1-3H3
InChIKeyZWBALZVBLVYKMW-UHFFFAOYSA-N
XLogP3.32
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline 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

N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline
CID 28537972
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 62122449
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892600
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline
CID 82539246
2-N-[(4-methoxyphenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126731
2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 28543653
N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline
CID 66385425
2,4-dimethoxy-N-pentylaniline
CID 28570496
N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline
CID 63451276

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline?
The IUPAC name of 2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline (CID 18316983) is 2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline is COc1ccc(CNc2ccc(OC)cc2OC)cc1.
What is the InChIKey of 2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline?
The InChIKey is ZWBALZVBLVYKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-13-6-4-12(5-7-13)11-17-15-9-8-14(19-2)10-16(15)20-3/h4-10,17H,11H2,1-3H3.
What are the key properties of 2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline?
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline has a molecular weight of 273.33 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 18316983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).