2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline

C18H23NO4 — CID 171920030

IUPAC2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline
SMILESCOc1cc(C)c(C)cc1Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H23NO4/c1-11-7-14(15(20-3)8-12(11)2)19-13-9-16(21-4)18(23-6)17(10-13)22-5/h7-10,19H,1-6H3
InChIKeyCPYSRSKFOPBHDB-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.08
Rot. Bonds6

About 2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline

2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline (PubChem CID 171920030) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline
PubChem CID171920030
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline
SMILESCOc1cc(C)c(C)cc1Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H23NO4/c1-11-7-14(15(20-3)8-12(11)2)19-13-9-16(21-4)18(23-6)17(10-13)22-5/h7-10,19H,1-6H3
InChIKeyCPYSRSKFOPBHDB-UHFFFAOYSA-N
XLogP4.08
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline
CID 101056079
1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 171934003
7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine
CID 171920024
1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
CID 20758550
4-bromo-1-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 29066562
3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine
CID 62477219
2,5-dichloro-3-(3-methoxy-4,5-dimethylanilino)-6-(3,4,5-trimethoxyanilino)cyclohexa-2,5-diene-1,4-dione
CID 134454786
methane;1,2,3,4-tetramethoxy-5-methylbenzene
CID 157228165
N-(2-chloroethyl)-2-methoxy-4,5-dimethylaniline
CID 115214578
2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535780
4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22028121
N-(2,4-dinitrophenyl)-3,4,5-trimethoxyaniline
CID 9279315

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline (CID 171920030) is 2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline is COc1cc(C)c(C)cc1Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline?
The InChIKey is CPYSRSKFOPBHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-11-7-14(15(20-3)8-12(11)2)19-13-9-16(21-4)18(23-6)17(10-13)22-5/h7-10,19H,1-6H3.
What are the key properties of 2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline?
2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline has a molecular weight of 317.39 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline is sourced from PubChem (CID 171920030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).