[1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol

C17H23NO2 — CID 62523800

IUPAC[1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol
SMILESCCc1oc2ccccc2c1CNC1(CO)CCCC1
InChIInChI=1S/C17H23NO2/c1-2-15-14(13-7-3-4-8-16(13)20-15)11-18-17(12-19)9-5-6-10-17/h3-4,7-8,18-19H,2,5-6,9-12H2,1H3
InChIKeyHHZKCLQBUCVSOB-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.39
Rot. Bonds5

About [1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol

[1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol (PubChem CID 62523800) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol
PubChem CID62523800
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name[1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol
SMILESCCc1oc2ccccc2c1CNC1(CO)CCCC1
InChIInChI=1S/C17H23NO2/c1-2-15-14(13-7-3-4-8-16(13)20-15)11-18-17(12-19)9-5-6-10-17/h3-4,7-8,18-19H,2,5-6,9-12H2,1H3
InChIKeyHHZKCLQBUCVSOB-UHFFFAOYSA-N
XLogP3.39
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1-ethylcyclobutyl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 103264746
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine
CID 113488701
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
CID 43226082
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol
CID 115644591
N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine
CID 43226088
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61223383
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 78997742
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]naphthalen-2-ol
CID 62520425
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739

Frequently Asked Questions

What is the IUPAC name of [1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol (CID 62523800) is [1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol is CCc1oc2ccccc2c1CNC1(CO)CCCC1.
What is the InChIKey of [1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol?
The InChIKey is HHZKCLQBUCVSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-15-14(13-7-3-4-8-16(13)20-15)11-18-17(12-19)9-5-6-10-17/h3-4,7-8,18-19H,2,5-6,9-12H2,1H3.
What are the key properties of [1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol?
[1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol has a molecular weight of 273.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 62523800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).