2,3,4-trimethoxyaniline

C9H13NO3 — CID 15455622

IUPAC2,3,4-trimethoxyaniline
SMILESCOc1ccc(N)c(OC)c1OC
InChIInChI=1S/C9H13NO3/c1-11-7-5-4-6(10)8(12-2)9(7)13-3/h4-5H,10H2,1-3H3
InChIKeyXRARCMOGDHJTAL-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.29
Rot. Bonds3

About 2,3,4-trimethoxyaniline

2,3,4-trimethoxyaniline (PubChem CID 15455622) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2,3,4-trimethoxyaniline.

Molecular Properties

Compound Name2,3,4-trimethoxyaniline
PubChem CID15455622
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2,3,4-trimethoxyaniline
SMILESCOc1ccc(N)c(OC)c1OC
InChIInChI=1S/C9H13NO3/c1-11-7-5-4-6(10)8(12-2)9(7)13-3/h4-5H,10H2,1-3H3
InChIKeyXRARCMOGDHJTAL-UHFFFAOYSA-N
XLogP1.29
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2,3-dimethylaniline
CID 11094809
CID 66584049
CID 66584049
2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine
CID 18371878
2,4-dimethoxy-3-phenylaniline
CID 165495221
2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline
CID 61025129
3-(4-bromophenyl)-2,4-dimethoxyaniline
CID 174856580
CID 54341332
CID 54341332
ethane;1,2,3-trimethoxy-4-methylbenzene
CID 142152701
1,8-dimethoxynaphthalen-2-amine
CID 115022882
7-methoxy-1H-indazol-4-amine
CID 171597914
2-amino-7-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 72714989
[5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine
CID 106888714

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxyaniline?
The IUPAC name of 2,3,4-trimethoxyaniline (CID 15455622) is 2,3,4-trimethoxyaniline.
What is the SMILES notation for 2,3,4-trimethoxyaniline?
The canonical SMILES for 2,3,4-trimethoxyaniline is COc1ccc(N)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxyaniline?
The InChIKey is XRARCMOGDHJTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-11-7-5-4-6(10)8(12-2)9(7)13-3/h4-5H,10H2,1-3H3.
What are the key properties of 2,3,4-trimethoxyaniline?
2,3,4-trimethoxyaniline has a molecular weight of 183.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxyaniline is sourced from PubChem (CID 15455622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).