1-[6-(cyclopropylmethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine

C13H17NO3 — CID 55011820

IUPAC1-[6-(cyclopropylmethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine
SMILESCNCc1cc2c(cc1OCC1CC1)OCO2
InChIInChI=1S/C13H17NO3/c1-14-6-10-4-12-13(17-8-16-12)5-11(10)15-7-9-2-3-9/h4-5,9,14H,2-3,6-8H2,1H3
InChIKeyUPRLVIVIJYBFND-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.92
Rot. Bonds5

About 1-[6-(cyclopropylmethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine

1-[6-(cyclopropylmethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine (PubChem CID 55011820) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[6-(cyclopropylmethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(cyclopropylmethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine
PubChem CID55011820
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-[6-(cyclopropylmethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine
SMILESCNCc1cc2c(cc1OCC1CC1)OCO2
InChIInChI=1S/C13H17NO3/c1-14-6-10-4-12-13(17-8-16-12)5-11(10)15-7-9-2-3-9/h4-5,9,14H,2-3,6-8H2,1H3
InChIKeyUPRLVIVIJYBFND-UHFFFAOYSA-N
XLogP1.92
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(3-methoxypropoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine
CID 55011917
1-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 43560073
N-methyl-1-[6-(2-propan-2-yloxyethoxy)-1,3-benzodioxol-5-yl]methanamine
CID 55012013
1-[6-[(E)-3-chloroprop-2-enoxy]-1,3-benzodioxol-5-yl]-N-methylmethanamine
CID 55012391
4-[[6-(methylaminomethyl)-1,3-benzodioxol-5-yl]oxy]butanenitrile
CID 55011767
[6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol
CID 55012960
3-[[6-(methylaminomethyl)-1,3-benzodioxol-5-yl]oxymethyl]pentan-3-ol
CID 114491872
3-[[6-(methylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propane-1,2-diol
CID 82849900
1-[[6-(methylaminomethyl)-1,3-benzodioxol-5-yl]oxymethyl]cyclohexan-1-ol
CID 65208705
1-methoxy-3-[[6-(methylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propan-2-ol
CID 63931069
N-methyl-1-[6-(1,3-thiazol-4-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine
CID 55011915
N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine
CID 55204163

Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopropylmethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(cyclopropylmethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine (CID 55011820) is 1-[6-(cyclopropylmethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(cyclopropylmethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(cyclopropylmethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine is CNCc1cc2c(cc1OCC1CC1)OCO2.
What is the InChIKey of 1-[6-(cyclopropylmethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine?
The InChIKey is UPRLVIVIJYBFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-14-6-10-4-12-13(17-8-16-12)5-11(10)15-7-9-2-3-9/h4-5,9,14H,2-3,6-8H2,1H3.
What are the key properties of 1-[6-(cyclopropylmethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine?
1-[6-(cyclopropylmethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine has a molecular weight of 235.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclopropylmethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 55011820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).