N-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C13H19NO2 — CID 83229241

IUPACN-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cc2c(o1)CCCC2NOC1CCCC1
InChIInChI=1S/C13H19NO2/c1-2-5-10(4-1)16-14-12-6-3-7-13-11(12)8-9-15-13/h8-10,12,14H,1-7H2
InChIKeyGRIREUPIOJTTDJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.12
Rot. Bonds3

About N-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 83229241) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID83229241
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cc2c(o1)CCCC2NOC1CCCC1
InChIInChI=1S/C13H19NO2/c1-2-5-10(4-1)16-14-12-6-3-7-13-11(12)8-9-15-13/h8-10,12,14H,1-7H2
InChIKeyGRIREUPIOJTTDJ-UHFFFAOYSA-N
XLogP3.12
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 83229241) is N-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine is c1cc2c(o1)CCCC2NOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is GRIREUPIOJTTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-5-10(4-1)16-14-12-6-3-7-13-11(12)8-9-15-13/h8-10,12,14H,1-7H2.
What are the key properties of N-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 221.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 83229241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).