4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline

C16H20N2O4 — CID 87574651

IUPAC4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline
SMILESCOc1c(N)c(OC)c(OC)c(-c2ccc(N)cc2)c1OC
InChIInChI=1S/C16H20N2O4/c1-19-13-11(9-5-7-10(17)8-6-9)14(20-2)16(22-4)12(18)15(13)21-3/h5-8H,17-18H2,1-4H3
InChIKeyIGPUXDFWGUYOMP-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.55
Rot. Bonds5

About 4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline

4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline (PubChem CID 87574651) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline
PubChem CID87574651
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline
SMILESCOc1c(N)c(OC)c(OC)c(-c2ccc(N)cc2)c1OC
InChIInChI=1S/C16H20N2O4/c1-19-13-11(9-5-7-10(17)8-6-9)14(20-2)16(22-4)12(18)15(13)21-3/h5-8H,17-18H2,1-4H3
InChIKeyIGPUXDFWGUYOMP-UHFFFAOYSA-N
XLogP2.55
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline?
The IUPAC name of 4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline (CID 87574651) is 4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline.
What is the SMILES notation for 4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline?
The canonical SMILES for 4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline is COc1c(N)c(OC)c(OC)c(-c2ccc(N)cc2)c1OC.
What is the InChIKey of 4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline?
The InChIKey is IGPUXDFWGUYOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-19-13-11(9-5-7-10(17)8-6-9)14(20-2)16(22-4)12(18)15(13)21-3/h5-8H,17-18H2,1-4H3.
What are the key properties of 4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline?
4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline has a molecular weight of 304.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline is sourced from PubChem (CID 87574651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).