4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine

C14H19NO2 — CID 79219418

IUPAC4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine
SMILESNC1(CC2COc3ccccc32)CCOCC1
InChIInChI=1S/C14H19NO2/c15-14(5-7-16-8-6-14)9-11-10-17-13-4-2-1-3-12(11)13/h1-4,11H,5-10,15H2
InChIKeyRQVHQZIYAXSKOS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.06
Rot. Bonds2

About 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine

4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine (PubChem CID 79219418) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine
PubChem CID79219418
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine
SMILESNC1(CC2COc3ccccc32)CCOCC1
InChIInChI=1S/C14H19NO2/c15-14(5-7-16-8-6-14)9-11-10-17-13-4-2-1-3-12(11)13/h1-4,11H,5-10,15H2
InChIKeyRQVHQZIYAXSKOS-UHFFFAOYSA-N
XLogP2.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine
CID 80604001
[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine
CID 79229754
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 104769683
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
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
1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine
CID 79229912
1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]cyclopropan-1-amine
CID 83910100
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine (CID 79219418) is 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine is NC1(CC2COc3ccccc32)CCOCC1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine?
The InChIKey is RQVHQZIYAXSKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c15-14(5-7-16-8-6-14)9-11-10-17-13-4-2-1-3-12(11)13/h1-4,11H,5-10,15H2.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine?
4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine has a molecular weight of 233.31 g/mol, XLogP of 2.06, 2 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-amine is sourced from PubChem (CID 79219418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).