3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline

C18H23NO3 — CID 775198

IUPAC3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
SMILESCOc1cc(OC)c(OC)cc1CNc1cc(C)cc(C)c1
InChIInChI=1S/C18H23NO3/c1-12-6-13(2)8-15(7-12)19-11-14-9-17(21-4)18(22-5)10-16(14)20-3/h6-10,19H,11H2,1-5H3
InChIKeyNWHGRNZSMLUNJO-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.94
Rot. Bonds6

About 3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline

3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline (PubChem CID 775198) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
PubChem CID775198
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
SMILESCOc1cc(OC)c(OC)cc1CNc1cc(C)cc(C)c1
InChIInChI=1S/C18H23NO3/c1-12-6-13(2)8-15(7-12)19-11-14-9-17(21-4)18(22-5)10-16(14)20-3/h6-10,19H,11H2,1-5H3
InChIKeyNWHGRNZSMLUNJO-UHFFFAOYSA-N
XLogP3.94
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)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

3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 775203
3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
CID 107582097
3,5-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23880433
N-[(2-methoxy-5-nitrophenyl)methyl]-3,5-dimethylaniline
CID 43212565
N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline
CID 79055350
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline
CID 39386959
3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline
CID 107582300
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline
CID 43425592
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346
N-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 82719803
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-methylaniline
CID 104938214
N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4726696

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline?
The IUPAC name of 3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline (CID 775198) is 3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline.
What is the SMILES notation for 3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline?
The canonical SMILES for 3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline is COc1cc(OC)c(OC)cc1CNc1cc(C)cc(C)c1.
What is the InChIKey of 3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline?
The InChIKey is NWHGRNZSMLUNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-12-6-13(2)8-15(7-12)19-11-14-9-17(21-4)18(22-5)10-16(14)20-3/h6-10,19H,11H2,1-5H3.
What are the key properties of 3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline?
3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline has a molecular weight of 301.39 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline is sourced from PubChem (CID 775198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).