1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine

C15H15NO3 — CID 43282413

IUPAC1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C15H15NO3/c1-16-9-11-4-2-3-5-13(11)19-12-6-7-14-15(8-12)18-10-17-14/h2-8,16H,9-10H2,1H3
InChIKeyZZZPSWMMURNSDF-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.93
Rot. Bonds4

About 1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine

1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine (PubChem CID 43282413) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine
PubChem CID43282413
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C15H15NO3/c1-16-9-11-4-2-3-5-13(11)19-12-6-7-14-15(8-12)18-10-17-14/h2-8,16H,9-10H2,1H3
InChIKeyZZZPSWMMURNSDF-UHFFFAOYSA-N
XLogP2.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine
CID 43282411
1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine
CID 43282407
1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81254758
N-methyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanamine
CID 63551846
1-[2-(1,3-benzodioxol-5-yloxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927963
1-[2-(1,3-benzodioxol-5-yloxy)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 113377970
1-[2-(2,3-dihydro-1-benzothiophen-5-yloxy)phenyl]-N-methylmethanamine
CID 141048003
[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine
CID 43314084
1-[2-(2-ethylphenoxy)phenyl]-N-methylmethanamine
CID 43283795
N-methyl-1-[2-(4-nitrophenoxy)phenyl]methanamine
CID 54915610
2-[2-(1,3-benzodioxol-4-yloxy)-6-(1,3-benzodioxol-5-yloxy)phenyl]acetonitrile
CID 70190784
1-[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]-N-methylethanamine
CID 43284922

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine (CID 43282413) is 1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine is CNCc1ccccc1Oc1ccc2c(c1)OCO2.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine?
The InChIKey is ZZZPSWMMURNSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-16-9-11-4-2-3-5-13(11)19-12-6-7-14-15(8-12)18-10-17-14/h2-8,16H,9-10H2,1H3.
What are the key properties of 1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine?
1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine has a molecular weight of 257.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 43282413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).