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

C18H23NO3 — CID 775226

IUPAC2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2cc(C)ccc2C)c(OC)c1OC
InChIInChI=1S/C18H23NO3/c1-12-6-7-13(2)15(10-12)19-11-14-8-9-16(20-3)18(22-5)17(14)21-4/h6-10,19H,11H2,1-5H3
InChIKeyYRYZJJMUVRYASN-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.94
Rot. Bonds6

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

2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline (PubChem CID 775226) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
PubChem CID775226
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2cc(C)ccc2C)c(OC)c1OC
InChIInChI=1S/C18H23NO3/c1-12-6-7-13(2)15(10-12)19-11-14-8-9-16(20-3)18(22-5)17(14)21-4/h6-10,19H,11H2,1-5H3
InChIKeyYRYZJJMUVRYASN-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

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Related Compounds

3,4-Dimethoxy-N-(4-methoxyphenyl)benzylamine
CID 784220
4-Methoxy-N-(3,4,5-trimethoxybenzyl)aniline
CID 364716
Dimethyl-{4-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenyl}-amine
CID 15696370
4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline
CID 373798
4-Ethyl-N-(3,4,5-trimethoxybenzyl)aniline
CID 373800
N-(4-Methoxybenzyl)-3,5-trimethoxyaniline
CID 364712
4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride
CID 372855
4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride
CID 373799
4-Ethyl-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride
CID 373801
4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline
CID 373806
4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride
CID 373807
(2,3-Dimethoxybenzyl)(2-methoxy-5-methylphenyl)amine
CID 775256

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline?
The IUPAC name of 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline (CID 775226) is 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline.
What is the SMILES notation for 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline?
The canonical SMILES for 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline is COc1ccc(CNc2cc(C)ccc2C)c(OC)c1OC.
What is the InChIKey of 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline?
The InChIKey is YRYZJJMUVRYASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-12-6-7-13(2)15(10-12)19-11-14-8-9-16(20-3)18(22-5)17(14)21-4/h6-10,19H,11H2,1-5H3.
What are the key properties of 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline?
2,5-dimethyl-N-[(2,3,4-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 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline is sourced from PubChem (CID 775226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).