N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine

C15H21NO4 — CID 63557537

IUPACN-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc2c(cc1OC1CCOC1)OCO2
InChIInChI=1S/C15H21NO4/c1-10(2)16-7-11-5-14-15(19-9-18-14)6-13(11)20-12-3-4-17-8-12/h5-6,10,12,16H,3-4,7-9H2,1-2H3
InChIKeyOUMAJFBDPRUZCX-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.08
Rot. Bonds5

About N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine

N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine (PubChem CID 63557537) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine
PubChem CID63557537
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc2c(cc1OC1CCOC1)OCO2
InChIInChI=1S/C15H21NO4/c1-10(2)16-7-11-5-14-15(19-9-18-14)6-13(11)20-12-3-4-17-8-12/h5-6,10,12,16H,3-4,7-9H2,1-2H3
InChIKeyOUMAJFBDPRUZCX-UHFFFAOYSA-N
XLogP2.08
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine
CID 63556774
[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methanol
CID 63558987
N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134235
N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63556375
N-[(6-but-2-ynoxy-1,3-benzodioxol-5-yl)methyl]propan-2-amine
CID 62311524
N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 104664869
6-(oxolan-3-yloxy)-1,3-benzodioxole-5-carboxylic acid
CID 63558366
1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine
CID 55012870
N-[[4-nitro-3-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63557345
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655174
N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine
CID 55204170
N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 107695497

Frequently Asked Questions

What is the IUPAC name of N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine (CID 63557537) is N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine is CC(C)NCc1cc2c(cc1OC1CCOC1)OCO2.
What is the InChIKey of N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine?
The InChIKey is OUMAJFBDPRUZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(2)16-7-11-5-14-15(19-9-18-14)6-13(11)20-12-3-4-17-8-12/h5-6,10,12,16H,3-4,7-9H2,1-2H3.
What are the key properties of N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine?
N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine has a molecular weight of 279.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 63557537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).