2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline

C15H15NO5 — CID 83005076

IUPAC2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(Oc2ccc3c(c2)OCO3)cc1OC
InChIInChI=1S/C15H15NO5/c1-17-13-6-10(16)12(7-14(13)18-2)21-9-3-4-11-15(5-9)20-8-19-11/h3-7H,8,16H2,1-2H3
InChIKeyIGGZVORAEJIRSJ-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.81
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline

2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline (PubChem CID 83005076) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline
PubChem CID83005076
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(Oc2ccc3c(c2)OCO3)cc1OC
InChIInChI=1S/C15H15NO5/c1-17-13-6-10(16)12(7-14(13)18-2)21-9-3-4-11-15(5-9)20-8-19-11/h3-7H,8,16H2,1-2H3
InChIKeyIGGZVORAEJIRSJ-UHFFFAOYSA-N
XLogP2.81
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.81
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

2-(1,3-benzodioxol-5-yloxy)-4-bromoaniline
CID 65342101
[2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine
CID 81298813
4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline
CID 83005064
[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine
CID 43314084
8-(1,3-benzodioxol-5-yloxy)isoquinolin-5-amine
CID 103139764
(1R)-1-[4-(1,3-benzodioxol-5-yloxy)-3-bromophenyl]ethanamine
CID 78937691
1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine
CID 43188982
5-(4-ethylphenoxy)-1,3-benzodioxole
CID 142013581
1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine
CID 43282413
[5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine
CID 65338592
6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine
CID 104507278
6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine
CID 62476577

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline (CID 83005076) is 2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline is COc1cc(N)c(Oc2ccc3c(c2)OCO3)cc1OC.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline?
The InChIKey is IGGZVORAEJIRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-17-13-6-10(16)12(7-14(13)18-2)21-9-3-4-11-15(5-9)20-8-19-11/h3-7H,8,16H2,1-2H3.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline?
2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline has a molecular weight of 289.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline is sourced from PubChem (CID 83005076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).