5-ethenyl-2,3-dimethoxyaniline

C10H13NO2 — CID 14166975

IUPAC5-ethenyl-2,3-dimethoxyaniline
SMILESC=Cc1cc(N)c(OC)c(OC)c1
InChIInChI=1S/C10H13NO2/c1-4-7-5-8(11)10(13-3)9(6-7)12-2/h4-6H,1,11H2,2-3H3
InChIKeyHUELNUUQUADVHT-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.93
Rot. Bonds3

About 5-ethenyl-2,3-dimethoxyaniline

5-ethenyl-2,3-dimethoxyaniline (PubChem CID 14166975) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-ethenyl-2,3-dimethoxyaniline.

Molecular Properties

Compound Name5-ethenyl-2,3-dimethoxyaniline
PubChem CID14166975
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name5-ethenyl-2,3-dimethoxyaniline
SMILESC=Cc1cc(N)c(OC)c(OC)c1
InChIInChI=1S/C10H13NO2/c1-4-7-5-8(11)10(13-3)9(6-7)12-2/h4-6H,1,11H2,2-3H3
InChIKeyHUELNUUQUADVHT-UHFFFAOYSA-N
XLogP1.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-ethenyl-2,3-dimethoxyphenyl)methanol
CID 170419069
5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene
CID 86096018
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795
2,3-dimethoxy-5-methylaniline
CID 14263216
3-ethenyl-1-methoxynaphthalene
CID 22386223
3-ethenyl-4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine
CID 143973697
4-ethenyl-1,2-dimethoxybenzene
CID 159733418
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
5-(4-ethenylphenoxy)-1,2,3-trimethoxybenzene
CID 130377348
2,3,5,6-tetramethoxyaniline
CID 19093015
5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole
CID 71995338
2-methyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 19688317

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2,3-dimethoxyaniline?
The IUPAC name of 5-ethenyl-2,3-dimethoxyaniline (CID 14166975) is 5-ethenyl-2,3-dimethoxyaniline.
What is the SMILES notation for 5-ethenyl-2,3-dimethoxyaniline?
The canonical SMILES for 5-ethenyl-2,3-dimethoxyaniline is C=Cc1cc(N)c(OC)c(OC)c1.
What is the InChIKey of 5-ethenyl-2,3-dimethoxyaniline?
The InChIKey is HUELNUUQUADVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-7-5-8(11)10(13-3)9(6-7)12-2/h4-6H,1,11H2,2-3H3.
What are the key properties of 5-ethenyl-2,3-dimethoxyaniline?
5-ethenyl-2,3-dimethoxyaniline has a molecular weight of 179.22 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2,3-dimethoxyaniline is sourced from PubChem (CID 14166975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).