N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine

C16H19NO2 — CID 106888217

IUPACN-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1-c1cccc2c1OCC2
InChIInChI=1S/C16H19NO2/c1-11(2)17-10-15-13(7-9-18-15)14-5-3-4-12-6-8-19-16(12)14/h3-5,7,9,11,17H,6,8,10H2,1-2H3
InChIKeyLLECMILXEADNHO-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.38
Rot. Bonds4

About N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine

N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine (PubChem CID 106888217) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine
PubChem CID106888217
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1-c1cccc2c1OCC2
InChIInChI=1S/C16H19NO2/c1-11(2)17-10-15-13(7-9-18-15)14-5-3-4-12-6-8-19-16(12)14/h3-5,7,9,11,17H,6,8,10H2,1-2H3
InChIKeyLLECMILXEADNHO-UHFFFAOYSA-N
XLogP3.38
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 114746537
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
CID 114746763
N-[[3-(2-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106887009
N-[[3-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106887918
1-[4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-ethylethanamine
CID 114746560
N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine
CID 106888298
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine
CID 114746594
7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 23543625
ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane
CID 143222384
N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine
CID 106888284
N-[[3-(3-nitrophenyl)furan-2-yl]methyl]propan-2-amine
CID 106886933
N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine
CID 106887002

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine (CID 106888217) is N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine is CC(C)NCc1occc1-c1cccc2c1OCC2.
What is the InChIKey of N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is LLECMILXEADNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11(2)17-10-15-13(7-9-18-15)14-5-3-4-12-6-8-19-16(12)14/h3-5,7,9,11,17H,6,8,10H2,1-2H3.
What are the key properties of N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine?
N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 257.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106888217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).