[7-(3-aminopropyl)-2,3-dihydro-1-benzofuran-2-yl]methanol

C12H17NO2 — CID 71056794

IUPAC[7-(3-aminopropyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
SMILESNCCCc1cccc2c1OC(CO)C2
InChIInChI=1S/C12H17NO2/c13-6-2-5-9-3-1-4-10-7-11(8-14)15-12(9)10/h1,3-4,11,14H,2,5-8,13H2
InChIKeyLLLVRYZMBCYTJQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.87
Rot. Bonds4

About [7-(3-aminopropyl)-2,3-dihydro-1-benzofuran-2-yl]methanol

[7-(3-aminopropyl)-2,3-dihydro-1-benzofuran-2-yl]methanol (PubChem CID 71056794) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [7-(3-aminopropyl)-2,3-dihydro-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[7-(3-aminopropyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
PubChem CID71056794
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[7-(3-aminopropyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
SMILESNCCCc1cccc2c1OC(CO)C2
InChIInChI=1S/C12H17NO2/c13-6-2-5-9-3-1-4-10-7-11(8-14)15-12(9)10/h1,3-4,11,14H,2,5-8,13H2
InChIKeyLLLVRYZMBCYTJQ-UHFFFAOYSA-N
XLogP0.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [7-(3-aminopropyl)-2,3-dihydro-1-benzofuran-2-yl]methanol?
The IUPAC name of [7-(3-aminopropyl)-2,3-dihydro-1-benzofuran-2-yl]methanol (CID 71056794) is [7-(3-aminopropyl)-2,3-dihydro-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [7-(3-aminopropyl)-2,3-dihydro-1-benzofuran-2-yl]methanol?
The canonical SMILES for [7-(3-aminopropyl)-2,3-dihydro-1-benzofuran-2-yl]methanol is NCCCc1cccc2c1OC(CO)C2.
What is the InChIKey of [7-(3-aminopropyl)-2,3-dihydro-1-benzofuran-2-yl]methanol?
The InChIKey is LLLVRYZMBCYTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c13-6-2-5-9-3-1-4-10-7-11(8-14)15-12(9)10/h1,3-4,11,14H,2,5-8,13H2.
What are the key properties of [7-(3-aminopropyl)-2,3-dihydro-1-benzofuran-2-yl]methanol?
[7-(3-aminopropyl)-2,3-dihydro-1-benzofuran-2-yl]methanol has a molecular weight of 207.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-aminopropyl)-2,3-dihydro-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 71056794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).