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

C17H25NO2 — CID 107136795

IUPACN-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCOC1)C1COc2ccccc21
InChIInChI=1S/C17H25NO2/c1-2-9-18-17(13-6-5-10-19-11-13)15-12-20-16-8-4-3-7-14(15)16/h3-4,7-8,13,15,17-18H,2,5-6,9-12H2,1H3
InChIKeyKQGIEKGSIDEGSE-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.96
Rot. Bonds5

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

N-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine (PubChem CID 107136795) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine
PubChem CID107136795
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCOC1)C1COc2ccccc21
InChIInChI=1S/C17H25NO2/c1-2-9-18-17(13-6-5-10-19-11-13)15-12-20-16-8-4-3-7-14(15)16/h3-4,7-8,13,15,17-18H,2,5-6,9-12H2,1H3
InChIKeyKQGIEKGSIDEGSE-UHFFFAOYSA-N
XLogP2.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine
CID 107136469
N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 107136482
N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine
CID 107136471
N-[2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102652109
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107136441
[cyclobutyl(2,3-dihydro-1-benzofuran-3-yl)methyl]hydrazine
CID 105262779
N-[naphthalen-2-yl(oxan-3-yl)methyl]propan-1-amine
CID 65332373
N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139020
N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine
CID 107136453
N-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 107136335
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-3-amine
CID 79226755
1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine
CID 104807348

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine (CID 107136795) is N-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine is CCCNC(C1CCCOC1)C1COc2ccccc21.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine?
The InChIKey is KQGIEKGSIDEGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-9-18-17(13-6-5-10-19-11-13)15-12-20-16-8-4-3-7-14(15)16/h3-4,7-8,13,15,17-18H,2,5-6,9-12H2,1H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine?
N-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 2.96, 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-3-yl(oxan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 107136795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).