[2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine

C15H15NO4 — CID 81298813

IUPAC[2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(Oc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C15H15NO4/c1-17-11-3-2-10(8-16)14(6-11)20-12-4-5-13-15(7-12)19-9-18-13/h2-7H,8-9,16H2,1H3
InChIKeyWEMCYGAQCBOBAS-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.67
Rot. Bonds4

About [2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine

[2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine (PubChem CID 81298813) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is [2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine
PubChem CID81298813
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name[2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(Oc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C15H15NO4/c1-17-11-3-2-10(8-16)14(6-11)20-12-4-5-13-15(7-12)19-9-18-13/h2-7H,8-9,16H2,1H3
InChIKeyWEMCYGAQCBOBAS-UHFFFAOYSA-N
XLogP2.67
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine
CID 43314084
2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline
CID 83005076
[2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine
CID 81299926
[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine
CID 81299924
[5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine
CID 65338592
(4-methoxy-2-pyridin-3-yloxyphenyl)methanamine
CID 81299641
[4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine
CID 106596411
[2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine
CID 107663612
1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine
CID 43282407
[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine
CID 63082834
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
[2-(5-fluoro-2-methylphenoxy)-4-methoxyphenyl]methanamine
CID 102980112

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine?
The IUPAC name of [2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine (CID 81298813) is [2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine?
The canonical SMILES for [2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine is COc1ccc(CN)c(Oc2ccc3c(c2)OCO3)c1.
What is the InChIKey of [2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine?
The InChIKey is WEMCYGAQCBOBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-17-11-3-2-10(8-16)14(6-11)20-12-4-5-13-15(7-12)19-9-18-13/h2-7H,8-9,16H2,1H3.
What are the key properties of [2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine?
[2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine has a molecular weight of 273.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 81298813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).