[2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol

C16H23NO2 — CID 79227078

IUPAC[2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNCC1COc2ccccc21
InChIInChI=1S/C16H23NO2/c18-10-13-5-3-4-12(13)8-17-9-14-11-19-16-7-2-1-6-15(14)16/h1-2,6-7,12-14,17-18H,3-5,8-11H2
InChIKeyLIGPGIRBSFYIHU-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.16
Rot. Bonds5

About [2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol

[2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol (PubChem CID 79227078) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is [2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol
PubChem CID79227078
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name[2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNCC1COc2ccccc21
InChIInChI=1S/C16H23NO2/c18-10-13-5-3-4-12(13)8-17-9-14-11-19-16-7-2-1-6-15(14)16/h1-2,6-7,12-14,17-18H,3-5,8-11H2
InChIKeyLIGPGIRBSFYIHU-UHFFFAOYSA-N
XLogP2.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol with MolForge

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
CID 79226192
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 79226749
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanamine
CID 79218793
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine
CID 80600514
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-2-methylpropane-1,2-diol
CID 79226361
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide
CID 79225953
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol
CID 79226740
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103759058
5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106147124
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol?
The IUPAC name of [2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol (CID 79227078) is [2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol is OCC1CCCC1CNCC1COc2ccccc21.
What is the InChIKey of [2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol?
The InChIKey is LIGPGIRBSFYIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-10-13-5-3-4-12(13)8-17-9-14-11-19-16-7-2-1-6-15(14)16/h1-2,6-7,12-14,17-18H,3-5,8-11H2.
What are the key properties of [2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol?
[2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol has a molecular weight of 261.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 79227078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).