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

C16H19NO3 — CID 3351558

IUPACN-[(2,3,4-trimethoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccccc2)c(OC)c1OC
InChIInChI=1S/C16H19NO3/c1-18-14-10-9-12(15(19-2)16(14)20-3)11-17-13-7-5-4-6-8-13/h4-10,17H,11H2,1-3H3
InChIKeyITQURMKDNRAVJI-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.32
Rot. Bonds6

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

N-[(2,3,4-trimethoxyphenyl)methyl]aniline (PubChem CID 3351558) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[(2,3,4-trimethoxyphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(2,3,4-trimethoxyphenyl)methyl]aniline
PubChem CID3351558
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[(2,3,4-trimethoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccccc2)c(OC)c1OC
InChIInChI=1S/C16H19NO3/c1-18-14-10-9-12(15(19-2)16(14)20-3)11-17-13-7-5-4-6-8-13/h4-10,17H,11H2,1-3H3
InChIKeyITQURMKDNRAVJI-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

Analyze N-[(2,3,4-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
4-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]aniline;oxalic acid
CID 171154855
N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline
CID 18778335
6-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851492
N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172115
4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline
CID 39422649
6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 75435934
oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17052977
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
N-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine
CID 79090223
2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol
CID 3744836

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4-trimethoxyphenyl)methyl]aniline?
The IUPAC name of N-[(2,3,4-trimethoxyphenyl)methyl]aniline (CID 3351558) is N-[(2,3,4-trimethoxyphenyl)methyl]aniline.
What is the SMILES notation for N-[(2,3,4-trimethoxyphenyl)methyl]aniline?
The canonical SMILES for N-[(2,3,4-trimethoxyphenyl)methyl]aniline is COc1ccc(CNc2ccccc2)c(OC)c1OC.
What is the InChIKey of N-[(2,3,4-trimethoxyphenyl)methyl]aniline?
The InChIKey is ITQURMKDNRAVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-14-10-9-12(15(19-2)16(14)20-3)11-17-13-7-5-4-6-8-13/h4-10,17H,11H2,1-3H3.
What are the key properties of N-[(2,3,4-trimethoxyphenyl)methyl]aniline?
N-[(2,3,4-trimethoxyphenyl)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 N-[(2,3,4-trimethoxyphenyl)methyl]aniline is sourced from PubChem (CID 3351558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).