N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine

C14H19NO — CID 43803961

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine
SMILESc1cc2c(cc1CNC1CCCC1)CCO2
InChIInChI=1S/C14H19NO/c1-2-4-13(3-1)15-10-11-5-6-14-12(9-11)7-8-16-14/h5-6,9,13,15H,1-4,7-8,10H2
InChIKeyFCTZRKSFMSTWPO-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.65
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine (PubChem CID 43803961) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine
PubChem CID43803961
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine
SMILESc1cc2c(cc1CNC1CCCC1)CCO2
InChIInChI=1S/C14H19NO/c1-2-4-13(3-1)15-10-11-5-6-14-12(9-11)7-8-16-14/h5-6,9,13,15H,1-4,7-8,10H2
InChIKeyFCTZRKSFMSTWPO-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine (CID 43803961) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine is c1cc2c(cc1CNC1CCCC1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine?
The InChIKey is FCTZRKSFMSTWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-4-13(3-1)15-10-11-5-6-14-12(9-11)7-8-16-14/h5-6,9,13,15H,1-4,7-8,10H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine has a molecular weight of 217.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine is sourced from PubChem (CID 43803961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).