[6-(3-aminopentan-3-yl)-1-benzofuran-2-yl]methanol

C14H19NO2 — CID 70483149

IUPAC[6-(3-aminopentan-3-yl)-1-benzofuran-2-yl]methanol
SMILESCCC(N)(CC)c1ccc2cc(CO)oc2c1
InChIInChI=1S/C14H19NO2/c1-3-14(15,4-2)11-6-5-10-7-12(9-16)17-13(10)8-11/h5-8,16H,3-4,9,15H2,1-2H3
InChIKeyXONOQCYWZKIOHB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.90
Rot. Bonds4

About [6-(3-aminopentan-3-yl)-1-benzofuran-2-yl]methanol

[6-(3-aminopentan-3-yl)-1-benzofuran-2-yl]methanol (PubChem CID 70483149) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [6-(3-aminopentan-3-yl)-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[6-(3-aminopentan-3-yl)-1-benzofuran-2-yl]methanol
PubChem CID70483149
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[6-(3-aminopentan-3-yl)-1-benzofuran-2-yl]methanol
SMILESCCC(N)(CC)c1ccc2cc(CO)oc2c1
InChIInChI=1S/C14H19NO2/c1-3-14(15,4-2)11-6-5-10-7-12(9-16)17-13(10)8-11/h5-8,16H,3-4,9,15H2,1-2H3
InChIKeyXONOQCYWZKIOHB-UHFFFAOYSA-N
XLogP2.90
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(3-aminopentan-3-yl)-1-benzofuran-2-yl]methanol?
The IUPAC name of [6-(3-aminopentan-3-yl)-1-benzofuran-2-yl]methanol (CID 70483149) is [6-(3-aminopentan-3-yl)-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [6-(3-aminopentan-3-yl)-1-benzofuran-2-yl]methanol?
The canonical SMILES for [6-(3-aminopentan-3-yl)-1-benzofuran-2-yl]methanol is CCC(N)(CC)c1ccc2cc(CO)oc2c1.
What is the InChIKey of [6-(3-aminopentan-3-yl)-1-benzofuran-2-yl]methanol?
The InChIKey is XONOQCYWZKIOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-14(15,4-2)11-6-5-10-7-12(9-16)17-13(10)8-11/h5-8,16H,3-4,9,15H2,1-2H3.
What are the key properties of [6-(3-aminopentan-3-yl)-1-benzofuran-2-yl]methanol?
[6-(3-aminopentan-3-yl)-1-benzofuran-2-yl]methanol has a molecular weight of 233.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-aminopentan-3-yl)-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 70483149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).