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

C13H17NO2 — CID 79220520

IUPAC3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-amine
SMILESNC1(CC2COc3ccccc32)CCOC1
InChIInChI=1S/C13H17NO2/c14-13(5-6-15-9-13)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,10H,5-9,14H2
InChIKeyWEKCWCGMRQTYOO-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.67
Rot. Bonds2

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

3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-amine (PubChem CID 79220520) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-amine
PubChem CID79220520
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-amine
SMILESNC1(CC2COc3ccccc32)CCOC1
InChIInChI=1S/C13H17NO2/c14-13(5-6-15-9-13)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,10H,5-9,14H2
InChIKeyWEKCWCGMRQTYOO-UHFFFAOYSA-N
XLogP1.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.67
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
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
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
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 104769683
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 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-amine (CID 79220520) is 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-amine is NC1(CC2COc3ccccc32)CCOC1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-amine?
The InChIKey is WEKCWCGMRQTYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c14-13(5-6-15-9-13)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,10H,5-9,14H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-amine?
3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-amine has a molecular weight of 219.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 79220520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).