N-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine

C14H19NO2 — CID 114262629

IUPACN-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine
SMILESCC1CCC(CNc2ccc3c(c2)COC3)O1
InChIInChI=1S/C14H19NO2/c1-10-2-5-14(17-10)7-15-13-4-3-11-8-16-9-12(11)6-13/h3-4,6,10,14-15H,2,5,7-9H2,1H3
InChIKeyKYSOQVARUMRJOK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.70
Rot. Bonds3

About N-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine

N-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine (PubChem CID 114262629) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine
PubChem CID114262629
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine
SMILESCC1CCC(CNc2ccc3c(c2)COC3)O1
InChIInChI=1S/C14H19NO2/c1-10-2-5-14(17-10)7-15-13-4-3-11-8-16-9-12(11)6-13/h3-4,6,10,14-15H,2,5,7-9H2,1H3
InChIKeyKYSOQVARUMRJOK-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine (CID 114262629) is N-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine is CC1CCC(CNc2ccc3c(c2)COC3)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine?
The InChIKey is KYSOQVARUMRJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-2-5-14(17-10)7-15-13-4-3-11-8-16-9-12(11)6-13/h3-4,6,10,14-15H,2,5,7-9H2,1H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine?
N-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine has a molecular weight of 233.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine is sourced from PubChem (CID 114262629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).