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

C15H22N2O — CID 79229361

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propylazetidin-3-amine
SMILESCCCC1(N)CN(CC2COc3ccccc32)C1
InChIInChI=1S/C15H22N2O/c1-2-7-15(16)10-17(11-15)8-12-9-18-14-6-4-3-5-13(12)14/h3-6,12H,2,7-11,16H2,1H3
InChIKeyDYSRIHNBRVHIAH-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.98
Rot. Bonds4

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

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propylazetidin-3-amine (PubChem CID 79229361) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propylazetidin-3-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propylazetidin-3-amine
PubChem CID79229361
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propylazetidin-3-amine
SMILESCCCC1(N)CN(CC2COc3ccccc32)C1
InChIInChI=1S/C15H22N2O/c1-2-7-15(16)10-17(11-15)8-12-9-18-14-6-4-3-5-13(12)14/h3-6,12H,2,7-11,16H2,1H3
InChIKeyDYSRIHNBRVHIAH-UHFFFAOYSA-N
XLogP1.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine
CID 79220094
3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine
CID 104771510
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161905
2-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-4-yl]ethanamine
CID 79229389
2-[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,4-diazepan-1-yl]ethanamine
CID 79226330
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-3-amine
CID 79230283
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine
CID 80604001
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)azetidine-3-carboxylic acid
CID 79230205
4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine
CID 79219418
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxypiperidine-4-carboximidamide
CID 79229225
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine
CID 124881489
(NE)-N-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 114509498

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propylazetidin-3-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propylazetidin-3-amine (CID 79229361) is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propylazetidin-3-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propylazetidin-3-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propylazetidin-3-amine is CCCC1(N)CN(CC2COc3ccccc32)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propylazetidin-3-amine?
The InChIKey is DYSRIHNBRVHIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-7-15(16)10-17(11-15)8-12-9-18-14-6-4-3-5-13(12)14/h3-6,12H,2,7-11,16H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propylazetidin-3-amine?
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propylazetidin-3-amine has a molecular weight of 246.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propylazetidin-3-amine is sourced from PubChem (CID 79229361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).