[3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine

C13H17NO2 — CID 117174176

IUPAC[3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine
SMILESCC(C)OCc1coc2ccc(CN)cc12
InChIInChI=1S/C13H17NO2/c1-9(2)15-7-11-8-16-13-4-3-10(6-14)5-12(11)13/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyWUZINNITQXRLBW-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.82
Rot. Bonds4

About [3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine

[3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine (PubChem CID 117174176) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is [3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine.

Molecular Properties

Compound Name[3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine
PubChem CID117174176
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name[3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine
SMILESCC(C)OCc1coc2ccc(CN)cc12
InChIInChI=1S/C13H17NO2/c1-9(2)15-7-11-8-16-13-4-3-10(6-14)5-12(11)13/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyWUZINNITQXRLBW-UHFFFAOYSA-N
XLogP2.82
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine?
The IUPAC name of [3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine (CID 117174176) is [3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine.
What is the SMILES notation for [3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine?
The canonical SMILES for [3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine is CC(C)OCc1coc2ccc(CN)cc12.
What is the InChIKey of [3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine?
The InChIKey is WUZINNITQXRLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)15-7-11-8-16-13-4-3-10(6-14)5-12(11)13/h3-5,8-9H,6-7,14H2,1-2H3.
What are the key properties of [3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine?
[3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine has a molecular weight of 219.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine is sourced from PubChem (CID 117174176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).