2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]aniline

C20H22N2O4 — CID 162654365

IUPAC2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]aniline
SMILESCOc1ccc(-n2cccc2-c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C20H22N2O4/c1-23-17-8-7-14(12-15(17)21)22-9-5-6-16(22)13-10-18(24-2)20(26-4)19(11-13)25-3/h5-12H,21H2,1-4H3
InChIKeyXRXWZXCTKOOXRB-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.76
Rot. Bonds6

About 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]aniline

2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]aniline (PubChem CID 162654365) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]aniline
PubChem CID162654365
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]aniline
SMILESCOc1ccc(-n2cccc2-c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C20H22N2O4/c1-23-17-8-7-14(12-15(17)21)22-9-5-6-16(22)13-10-18(24-2)20(26-4)19(11-13)25-3/h5-12H,21H2,1-4H3
InChIKeyXRXWZXCTKOOXRB-UHFFFAOYSA-N
XLogP3.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
CID 5330475
1-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 44585261
4,5,6-Trimethoxy-1-(1-methylindol-4-yl)indole
CID 54576096
4,5,6-Trimethoxy-1-(4-methoxyphenyl)indole
CID 54768148
5-Methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline
CID 54768149
N,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline
CID 54768182
2-Methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrazol-3-yl]aniline
CID 11810398
2-Methoxy-5-[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]aniline
CID 44585269
2,4-Bis(3,4,5-trimethoxyphenyl)pyridine
CID 90670570
2-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
CID 162662989
2-(4-Ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
CID 162664976
1-(4-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyrrole
CID 162673897

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]aniline?
The IUPAC name of 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]aniline (CID 162654365) is 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]aniline.
What is the SMILES notation for 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]aniline?
The canonical SMILES for 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]aniline is COc1ccc(-n2cccc2-c2cc(OC)c(OC)c(OC)c2)cc1N.
What is the InChIKey of 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]aniline?
The InChIKey is XRXWZXCTKOOXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-23-17-8-7-14(12-15(17)21)22-9-5-6-16(22)13-10-18(24-2)20(26-4)19(11-13)25-3/h5-12H,21H2,1-4H3.
What are the key properties of 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]aniline?
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]aniline has a molecular weight of 354.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]aniline is sourced from PubChem (CID 162654365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).