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

C14H19NO2 — CID 79226755

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-3-amine
SMILESc1ccc2c(c1)OCC2CNC1CCCOC1
InChIInChI=1S/C14H19NO2/c1-2-6-14-13(5-1)11(9-17-14)8-15-12-4-3-7-16-10-12/h1-2,5-6,11-12,15H,3-4,7-10H2
InChIKeyBQXNTMDOMPKOKC-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.93
Rot. Bonds3

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

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-3-amine (PubChem CID 79226755) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-3-amine
PubChem CID79226755
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-3-amine
SMILESc1ccc2c(c1)OCC2CNC1CCCOC1
InChIInChI=1S/C14H19NO2/c1-2-6-14-13(5-1)11(9-17-14)8-15-12-4-3-7-16-10-12/h1-2,5-6,11-12,15H,3-4,7-10H2
InChIKeyBQXNTMDOMPKOKC-UHFFFAOYSA-N
XLogP1.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103966172
(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81395215
1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
CID 110750914
1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea
CID 129487326
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dioxothian-3-amine
CID 115756883
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine
CID 113320280
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine
CID 65081954
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine
CID 115653655
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 104768402
2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine
CID 104770430
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 104768322
N-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine
CID 107136795

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-3-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-3-amine (CID 79226755) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-3-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-3-amine is c1ccc2c(c1)OCC2CNC1CCCOC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-3-amine?
The InChIKey is BQXNTMDOMPKOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-6-14-13(5-1)11(9-17-14)8-15-12-4-3-7-16-10-12/h1-2,5-6,11-12,15H,3-4,7-10H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-3-amine?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-3-amine has a molecular weight of 233.31 g/mol, XLogP of 1.93, 3 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-ylmethyl)oxan-3-amine is sourced from PubChem (CID 79226755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).