2-cyclopentyloxyaniline;hydrochloride

C11H16ClNO — CID 42937394

IUPAC2-cyclopentyloxyaniline;hydrochloride
SMILESCl.Nc1ccccc1OC1CCCC1
InChIInChI=1S/C11H15NO.ClH/c12-10-7-3-4-8-11(10)13-9-5-1-2-6-9;/h3-4,7-9H,1-2,5-6,12H2;1H
InChIKeySKQKYGTWPGTRPA-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.01
Rot. Bonds2

About 2-cyclopentyloxyaniline;hydrochloride

2-cyclopentyloxyaniline;hydrochloride (PubChem CID 42937394) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-cyclopentyloxyaniline;hydrochloride.

Molecular Properties

Compound Name2-cyclopentyloxyaniline;hydrochloride
PubChem CID42937394
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-cyclopentyloxyaniline;hydrochloride
SMILESCl.Nc1ccccc1OC1CCCC1
InChIInChI=1S/C11H15NO.ClH/c12-10-7-3-4-8-11(10)13-9-5-1-2-6-9;/h3-4,7-9H,1-2,5-6,12H2;1H
InChIKeySKQKYGTWPGTRPA-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.01
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;hydrochloride?
The IUPAC name of 2-cyclopentyloxyaniline;hydrochloride (CID 42937394) is 2-cyclopentyloxyaniline;hydrochloride.
What is the SMILES notation for 2-cyclopentyloxyaniline;hydrochloride?
The canonical SMILES for 2-cyclopentyloxyaniline;hydrochloride is Cl.Nc1ccccc1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxyaniline;hydrochloride?
The InChIKey is SKQKYGTWPGTRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c12-10-7-3-4-8-11(10)13-9-5-1-2-6-9;/h3-4,7-9H,1-2,5-6,12H2;1H.
What are the key properties of 2-cyclopentyloxyaniline;hydrochloride?
2-cyclopentyloxyaniline;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxyaniline;hydrochloride is sourced from PubChem (CID 42937394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).