N-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline

C16H19NO3 — CID 784220

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C16H19NO3/c1-18-14-7-5-13(6-8-14)17-11-12-4-9-15(19-2)16(10-12)20-3/h4-10,17H,11H2,1-3H3
InChIKeyLCTVDNZJKCOONX-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.32
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline

N-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline (PubChem CID 784220) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline
PubChem CID784220
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C16H19NO3/c1-18-14-7-5-13(6-8-14)17-11-12-4-9-15(19-2)16(10-12)20-3/h4-10,17H,11H2,1-3H3
InChIKeyLCTVDNZJKCOONX-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 N-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline (CID 784220) is N-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline is COc1ccc(NCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline?
The InChIKey is LCTVDNZJKCOONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-14-7-5-13(6-8-14)17-11-12-4-9-15(19-2)16(10-12)20-3/h4-10,17H,11H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline?
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline 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 N-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline is sourced from PubChem (CID 784220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).