2,3,5,6-tetramethoxyaniline

C10H15NO4 — CID 19093015

IUPAC2,3,5,6-tetramethoxyaniline
SMILESCOc1cc(OC)c(OC)c(N)c1OC
InChIInChI=1S/C10H15NO4/c1-12-6-5-7(13-2)10(15-4)8(11)9(6)14-3/h5H,11H2,1-4H3
InChIKeyTUIFQKGWBZZWQJ-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.30
Rot. Bonds4

About 2,3,5,6-tetramethoxyaniline

2,3,5,6-tetramethoxyaniline (PubChem CID 19093015) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2,3,5,6-tetramethoxyaniline.

Molecular Properties

Compound Name2,3,5,6-tetramethoxyaniline
PubChem CID19093015
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2,3,5,6-tetramethoxyaniline
SMILESCOc1cc(OC)c(OC)c(N)c1OC
InChIInChI=1S/C10H15NO4/c1-12-6-5-7(13-2)10(15-4)8(11)9(6)14-3/h5H,11H2,1-4H3
InChIKeyTUIFQKGWBZZWQJ-UHFFFAOYSA-N
XLogP1.30
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3,5,6-tetramethoxyaniline 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

3,4,6-trimethoxybenzene-1,2-diamine
CID 14975826
3-amino-2,4,5-trimethoxybenzoic acid
CID 63023847
4,5-dimethoxy-3-methylbenzene-1,2-diamine
CID 13006980
6,7-dimethoxy-1-methylisoquinolin-5-amine
CID 86217778
2,3-dimethoxy-5-methylaniline
CID 14263216
5-amino-4,6-dimethoxybenzene-1,3-diol
CID 45091349
2,4,6-trimethoxynaphthalen-1-amine
CID 123693588
2,5,8,11,20-pentamethoxyhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 102452050
methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate
CID 84691006
3-amino-2-ethyl-4,5-dimethoxybenzoic acid
CID 84689670
4,5-dimethoxy-2-(3,4,5-trimethoxyphenyl)aniline
CID 89207272
5-ethenyl-2,3-dimethoxyaniline
CID 14166975

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethoxyaniline?
The IUPAC name of 2,3,5,6-tetramethoxyaniline (CID 19093015) is 2,3,5,6-tetramethoxyaniline.
What is the SMILES notation for 2,3,5,6-tetramethoxyaniline?
The canonical SMILES for 2,3,5,6-tetramethoxyaniline is COc1cc(OC)c(OC)c(N)c1OC.
What is the InChIKey of 2,3,5,6-tetramethoxyaniline?
The InChIKey is TUIFQKGWBZZWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-12-6-5-7(13-2)10(15-4)8(11)9(6)14-3/h5H,11H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethoxyaniline?
2,3,5,6-tetramethoxyaniline has a molecular weight of 213.23 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethoxyaniline is sourced from PubChem (CID 19093015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).