N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine

C16H19NO3 — CID 114376554

IUPACN-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine
SMILESCC(C)NCc1oc2cc3c(cc2c1C1CC1)OCO3
InChIInChI=1S/C16H19NO3/c1-9(2)17-7-15-16(10-3-4-10)11-5-13-14(19-8-18-13)6-12(11)20-15/h5-6,9-10,17H,3-4,7-8H2,1-2H3
InChIKeyBKNBTQBNKPFPFN-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.54
Rot. Bonds4

About N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine

N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine (PubChem CID 114376554) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine
PubChem CID114376554
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine
SMILESCC(C)NCc1oc2cc3c(cc2c1C1CC1)OCO3
InChIInChI=1S/C16H19NO3/c1-9(2)17-7-15-16(10-3-4-10)11-5-13-14(19-8-18-13)6-12(11)20-15/h5-6,9-10,17H,3-4,7-8H2,1-2H3
InChIKeyBKNBTQBNKPFPFN-UHFFFAOYSA-N
XLogP3.54
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine with MolForge

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Related Compounds

N-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114377233
1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine
CID 114377164
N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114375390
N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114377188
N-[(5-bromo-4,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 107662984
(7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)methanamine
CID 81047700
N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62422951
N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 114374961
N-[(4,6-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114377035
N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114375397
N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine
CID 63557537
N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine
CID 43767433

Frequently Asked Questions

What is the IUPAC name of N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine?
The IUPAC name of N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine (CID 114376554) is N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine is CC(C)NCc1oc2cc3c(cc2c1C1CC1)OCO3.
What is the InChIKey of N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine?
The InChIKey is BKNBTQBNKPFPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-9(2)17-7-15-16(10-3-4-10)11-5-13-14(19-8-18-13)6-12(11)20-15/h5-6,9-10,17H,3-4,7-8H2,1-2H3.
What are the key properties of N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine?
N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine has a molecular weight of 273.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine is sourced from PubChem (CID 114376554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).