1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine

C14H19NO2 — CID 81329935

IUPAC1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine
SMILESCC1CCC(C(N)c2ccc3c(c2)COC3)O1
InChIInChI=1S/C14H19NO2/c1-9-2-5-13(17-9)14(15)10-3-4-11-7-16-8-12(11)6-10/h3-4,6,9,13-14H,2,5,7-8,15H2,1H3
InChIKeyIMUYLBKMOLXULC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.28
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine

1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine (PubChem CID 81329935) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine
PubChem CID81329935
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine
SMILESCC1CCC(C(N)c2ccc3c(c2)COC3)O1
InChIInChI=1S/C14H19NO2/c1-9-2-5-13(17-9)14(15)10-3-4-11-7-16-8-12(11)6-10/h3-4,6,9,13-14H,2,5,7-8,15H2,1H3
InChIKeyIMUYLBKMOLXULC-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine (CID 81329935) is 1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine is CC1CCC(C(N)c2ccc3c(c2)COC3)O1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine?
The InChIKey is IMUYLBKMOLXULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-2-5-13(17-9)14(15)10-3-4-11-7-16-8-12(11)6-10/h3-4,6,9,13-14H,2,5,7-8,15H2,1H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine?
1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine has a molecular weight of 233.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 81329935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).