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

C17H19NO3 — CID 43282411

IUPACN-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C17H19NO3/c1-12(2)18-10-13-5-3-4-6-15(13)21-14-7-8-16-17(9-14)20-11-19-16/h3-9,12,18H,10-11H2,1-2H3
InChIKeyJHRQZLLKHCYWFL-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.71
Rot. Bonds5

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

N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine (PubChem CID 43282411) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine
PubChem CID43282411
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C17H19NO3/c1-12(2)18-10-13-5-3-4-6-15(13)21-14-7-8-16-17(9-14)20-11-19-16/h3-9,12,18H,10-11H2,1-2H3
InChIKeyJHRQZLLKHCYWFL-UHFFFAOYSA-N
XLogP3.71
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine
CID 43282413
N-[[2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]propan-2-amine
CID 43283537
N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 43554911
N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296181
N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296536
N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66449828
1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine
CID 43282407
N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62452160
N-[(2-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 43283723
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]propan-2-amine
CID 14809521
1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine
CID 43188982
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine (CID 43282411) is N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1Oc1ccc2c(c1)OCO2.
What is the InChIKey of N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine?
The InChIKey is JHRQZLLKHCYWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(2)18-10-13-5-3-4-6-15(13)21-14-7-8-16-17(9-14)20-11-19-16/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine?
N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine has a molecular weight of 285.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43282411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).