1-ethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propan-2-amine

C14H21NO4 — CID 115614634

IUPAC1-ethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propan-2-amine
SMILESCCOCC(C)NCc1cc(OC)c2c(c1)OCO2
InChIInChI=1S/C14H21NO4/c1-4-17-8-10(2)15-7-11-5-12(16-3)14-13(6-11)18-9-19-14/h5-6,10,15H,4,7-9H2,1-3H3
InChIKeyOKKMWJMCEFUZGB-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.94
Rot. Bonds7

About 1-ethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propan-2-amine

1-ethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propan-2-amine (PubChem CID 115614634) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-ethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propan-2-amine
PubChem CID115614634
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name1-ethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propan-2-amine
SMILESCCOCC(C)NCc1cc(OC)c2c(c1)OCO2
InChIInChI=1S/C14H21NO4/c1-4-17-8-10(2)15-7-11-5-12(16-3)14-13(6-11)18-9-19-14/h5-6,10,15H,4,7-9H2,1-3H3
InChIKeyOKKMWJMCEFUZGB-UHFFFAOYSA-N
XLogP1.94
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methylbutan-2-amine
CID 103271091
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methylbutan-2-amine
CID 113218807
methyl (2S)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]-3-methylbutanoate
CID 104864935
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]propan-2-amine
CID 60657642
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 134686709
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103886609
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]prop-2-en-1-amine
CID 115572023
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]heptane-1,7-diamine
CID 53484108
4-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclohexan-1-amine
CID 115584764
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5-methylhexan-1-amine
CID 115644476
5-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]-2-methylpentan-1-ol
CID 103859589
2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethanol
CID 115572492

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propan-2-amine?
The IUPAC name of 1-ethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propan-2-amine (CID 115614634) is 1-ethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 1-ethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propan-2-amine is CCOCC(C)NCc1cc(OC)c2c(c1)OCO2.
What is the InChIKey of 1-ethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propan-2-amine?
The InChIKey is OKKMWJMCEFUZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-17-8-10(2)15-7-11-5-12(16-3)14-13(6-11)18-9-19-14/h5-6,10,15H,4,7-9H2,1-3H3.
What are the key properties of 1-ethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propan-2-amine?
1-ethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propan-2-amine has a molecular weight of 267.32 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 115614634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).