N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine

C15H22N2O — CID 66181570

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine
SMILESCCCN(Cc1ccc2c(c1)CCO2)C1CNC1
InChIInChI=1S/C15H22N2O/c1-2-6-17(14-9-16-10-14)11-12-3-4-15-13(8-12)5-7-18-15/h3-4,8,14,16H,2,5-7,9-11H2,1H3
InChIKeyOLUICUWHZMMTNL-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.81
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine (PubChem CID 66181570) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine
PubChem CID66181570
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine
SMILESCCCN(Cc1ccc2c(c1)CCO2)C1CNC1
InChIInChI=1S/C15H22N2O/c1-2-6-17(14-9-16-10-14)11-12-3-4-15-13(8-12)5-7-18-15/h3-4,8,14,16H,2,5-7,9-11H2,1H3
InChIKeyOLUICUWHZMMTNL-UHFFFAOYSA-N
XLogP1.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-propylazetidin-3-amine
CID 66183064
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine
CID 117040712
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604004
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 106623790
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-propylcyclopropanamine
CID 43270522
N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine
CID 66182012
N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204974
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine (CID 66181570) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine is CCCN(Cc1ccc2c(c1)CCO2)C1CNC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine?
The InChIKey is OLUICUWHZMMTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-6-17(14-9-16-10-14)11-12-3-4-15-13(8-12)5-7-18-15/h3-4,8,14,16H,2,5-7,9-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine has a molecular weight of 246.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine is sourced from PubChem (CID 66181570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).