2-cyclopentyloxyaniline

C11H15NO — CID 6485398

IUPAC2-cyclopentyloxyaniline
SMILESNc1ccccc1OC1CCCC1
InChIInChI=1S/C11H15NO/c12-10-7-3-4-8-11(10)13-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,12H2
InChIKeyFNBWQWIPPGLDPD-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.59
Rot. Bonds2

About 2-cyclopentyloxyaniline

2-cyclopentyloxyaniline (PubChem CID 6485398) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-cyclopentyloxyaniline.

Molecular Properties

Compound Name2-cyclopentyloxyaniline
PubChem CID6485398
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-cyclopentyloxyaniline
SMILESNc1ccccc1OC1CCCC1
InChIInChI=1S/C11H15NO/c12-10-7-3-4-8-11(10)13-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,12H2
InChIKeyFNBWQWIPPGLDPD-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxyaniline?
The IUPAC name of 2-cyclopentyloxyaniline (CID 6485398) is 2-cyclopentyloxyaniline.
What is the SMILES notation for 2-cyclopentyloxyaniline?
The canonical SMILES for 2-cyclopentyloxyaniline is Nc1ccccc1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxyaniline?
The InChIKey is FNBWQWIPPGLDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-10-7-3-4-8-11(10)13-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,12H2.
What are the key properties of 2-cyclopentyloxyaniline?
2-cyclopentyloxyaniline has a molecular weight of 177.25 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxyaniline is sourced from PubChem (CID 6485398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).