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

C15H22N2O — CID 66363424

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine
SMILESCCCN(CC1Cc2ccccc2O1)C1CNC1
InChIInChI=1S/C15H22N2O/c1-2-7-17(13-9-16-10-13)11-14-8-12-5-3-4-6-15(12)18-14/h3-6,13-14,16H,2,7-11H2,1H3
InChIKeyPMKJHVDWZWENHI-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.67
Rot. Bonds5

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

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine (PubChem CID 66363424) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine
PubChem CID66363424
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine
SMILESCCCN(CC1Cc2ccccc2O1)C1CNC1
InChIInChI=1S/C15H22N2O/c1-2-7-17(13-9-16-10-13)11-14-8-12-5-3-4-6-15(12)18-14/h3-6,13-14,16H,2,7-11H2,1H3
InChIKeyPMKJHVDWZWENHI-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylpyrrolidin-3-amine
CID 66364981
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79117519
2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol
CID 102676518
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine
CID 63301028
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpiperidin-3-amine
CID 66365889
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
N'-cyclobutyl-N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,3-diamine
CID 102875058
N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 66215662
ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate
CID 63663084
2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran
CID 79456341
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106636121
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide
CID 146108503

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine (CID 66363424) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine is CCCN(CC1Cc2ccccc2O1)C1CNC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine?
The InChIKey is PMKJHVDWZWENHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-7-17(13-9-16-10-13)11-14-8-12-5-3-4-6-15(12)18-14/h3-6,13-14,16H,2,7-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine has a molecular weight of 246.35 g/mol, XLogP of 1.67, 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-2-ylmethyl)-N-propylazetidin-3-amine is sourced from PubChem (CID 66363424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).