[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine

C15H21NO2 — CID 79229754

IUPAC[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine
SMILESNCC1(CC2COc3ccccc32)CCOCC1
InChIInChI=1S/C15H21NO2/c16-11-15(5-7-17-8-6-15)9-12-10-18-14-4-2-1-3-13(12)14/h1-4,12H,5-11,16H2
InChIKeyRZJZDUBMVQVFOK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.31
Rot. Bonds3

About [4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine

[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine (PubChem CID 79229754) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine
PubChem CID79229754
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine
SMILESNCC1(CC2COc3ccccc32)CCOCC1
InChIInChI=1S/C15H21NO2/c16-11-15(5-7-17-8-6-15)9-12-10-18-14-4-2-1-3-13(12)14/h1-4,12H,5-11,16H2
InChIKeyRZJZDUBMVQVFOK-UHFFFAOYSA-N
XLogP2.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine
CID 79219418
3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-amine
CID 79220520
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine
CID 79220094
N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79219918
N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 79229598
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine
CID 80604001
1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine
CID 79229912
[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine
CID 104768026
3-[[3-(bromomethyl)-2-methyloxolan-3-yl]methyl]-2,3-dihydro-1-benzofuran
CID 114536040
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine (CID 79229754) is [4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine is NCC1(CC2COc3ccccc32)CCOCC1.
What is the InChIKey of [4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine?
The InChIKey is RZJZDUBMVQVFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c16-11-15(5-7-17-8-6-15)9-12-10-18-14-4-2-1-3-13(12)14/h1-4,12H,5-11,16H2.
What are the key properties of [4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine?
[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine has a molecular weight of 247.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 79229754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).