1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine

C15H21NO — CID 112570233

IUPAC1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine
SMILESNC(CC1COc2ccccc21)C1CCCC1
InChIInChI=1S/C15H21NO/c16-14(11-5-1-2-6-11)9-12-10-17-15-8-4-3-7-13(12)15/h3-4,7-8,11-12,14H,1-2,5-6,9-10,16H2
InChIKeyZCWBIAMKUDMYPO-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.07
Rot. Bonds3

About 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine

1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine (PubChem CID 112570233) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine
PubChem CID112570233
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine
SMILESNC(CC1COc2ccccc21)C1CCCC1
InChIInChI=1S/C15H21NO/c16-14(11-5-1-2-6-11)9-12-10-17-15-8-4-3-7-13(12)15/h3-4,7-8,11-12,14H,1-2,5-6,9-10,16H2
InChIKeyZCWBIAMKUDMYPO-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine?
The IUPAC name of 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine (CID 112570233) is 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine is NC(CC1COc2ccccc21)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine?
The InChIKey is ZCWBIAMKUDMYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-14(11-5-1-2-6-11)9-12-10-17-15-8-4-3-7-13(12)15/h3-4,7-8,11-12,14H,1-2,5-6,9-10,16H2.
What are the key properties of 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine?
1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine has a molecular weight of 231.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 112570233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).