3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol

C14H19NO2 — CID 82974967

IUPAC3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCN(C1CCCC1)C1COc2cc(O)ccc21
InChIInChI=1S/C14H19NO2/c1-15(10-4-2-3-5-10)13-9-17-14-8-11(16)6-7-12(13)14/h6-8,10,13,16H,2-5,9H2,1H3
InChIKeyXXMSDTWOHXYKGJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.70
Rot. Bonds2

About 3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol

3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 82974967) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID82974967
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCN(C1CCCC1)C1COc2cc(O)ccc21
InChIInChI=1S/C14H19NO2/c1-15(10-4-2-3-5-10)13-9-17-14-8-11(16)6-7-12(13)14/h6-8,10,13,16H,2-5,9H2,1H3
InChIKeyXXMSDTWOHXYKGJ-UHFFFAOYSA-N
XLogP2.70
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol (CID 82974967) is 3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol is CN(C1CCCC1)C1COc2cc(O)ccc21.
What is the InChIKey of 3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is XXMSDTWOHXYKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15(10-4-2-3-5-10)13-9-17-14-8-11(16)6-7-12(13)14/h6-8,10,13,16H,2-5,9H2,1H3.
What are the key properties of 3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 233.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 82974967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).