N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine

C16H19NO4 — CID 62452160

IUPACN-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccoc1COc1ccc2c(c1)OCO2
InChIInChI=1S/C16H19NO4/c1-11(2)17-8-12-5-6-18-16(12)9-19-13-3-4-14-15(7-13)21-10-20-14/h3-7,11,17H,8-10H2,1-2H3
InChIKeyWTIQNDSQMAQBGB-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.09
Rot. Bonds6

About N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine

N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine (PubChem CID 62452160) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine
PubChem CID62452160
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccoc1COc1ccc2c(c1)OCO2
InChIInChI=1S/C16H19NO4/c1-11(2)17-8-12-5-6-18-16(12)9-19-13-3-4-14-15(7-13)21-10-20-14/h3-7,11,17H,8-10H2,1-2H3
InChIKeyWTIQNDSQMAQBGB-UHFFFAOYSA-N
XLogP3.09
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62452883
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]propan-2-amine
CID 14809521
N-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 63648919
N-[[3-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62450156
5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine
CID 62452164
N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296181
N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine
CID 43282411
N-[[2-[(2,4-dichlorophenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62458317
N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62450301
N-[[2-[(5-fluoro-2-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 102986350
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296536

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine (CID 62452160) is N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine is CC(C)NCc1ccoc1COc1ccc2c(c1)OCO2.
What is the InChIKey of N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine?
The InChIKey is WTIQNDSQMAQBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11(2)17-8-12-5-6-18-16(12)9-19-13-3-4-14-15(7-13)21-10-20-14/h3-7,11,17H,8-10H2,1-2H3.
What are the key properties of N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine?
N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine has a molecular weight of 289.33 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62452160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).