[1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol

C13H15NO2 — CID 115763206

IUPAC[1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol
SMILESOCC1(NCc2coc3ccccc23)CC1
InChIInChI=1S/C13H15NO2/c15-9-13(5-6-13)14-7-10-8-16-12-4-2-1-3-11(10)12/h1-4,8,14-15H,5-7,9H2
InChIKeySKFSULMOBGPQLL-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.05
Rot. Bonds4

About [1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol

[1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol (PubChem CID 115763206) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is [1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol
PubChem CID115763206
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name[1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol
SMILESOCC1(NCc2coc3ccccc23)CC1
InChIInChI=1S/C13H15NO2/c15-9-13(5-6-13)14-7-10-8-16-12-4-2-1-3-11(10)12/h1-4,8,14-15H,5-7,9H2
InChIKeySKFSULMOBGPQLL-UHFFFAOYSA-N
XLogP2.05
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide
CID 115189846
N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183042
N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182419
1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 78963908
[1-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]cyclopropyl]methanol
CID 115243599
[1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol
CID 62523800
[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol
CID 115733245
N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
CID 115750478
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
2-(1-benzofuran-3-ylmethylamino)-2-methylbutan-1-ol
CID 80701889
1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 75377076
1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
CID 115258609

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol?
The IUPAC name of [1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol (CID 115763206) is [1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol.
What is the SMILES notation for [1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol?
The canonical SMILES for [1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol is OCC1(NCc2coc3ccccc23)CC1.
What is the InChIKey of [1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol?
The InChIKey is SKFSULMOBGPQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-9-13(5-6-13)14-7-10-8-16-12-4-2-1-3-11(10)12/h1-4,8,14-15H,5-7,9H2.
What are the key properties of [1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol?
[1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol has a molecular weight of 217.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol is sourced from PubChem (CID 115763206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).