N-chloro-4-cyclopentylaniline

C11H14ClN — CID 156634921

IUPACN-chloro-4-cyclopentylaniline
SMILESClNc1ccc(C2CCCC2)cc1
InChIInChI=1S/C11H14ClN/c12-13-11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,13H,1-4H2
InChIKeyHILFBLAYXCYXRH-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.91
Rot. Bonds2

About N-chloro-4-cyclopentylaniline

N-chloro-4-cyclopentylaniline (PubChem CID 156634921) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is N-chloro-4-cyclopentylaniline.

Molecular Properties

Compound NameN-chloro-4-cyclopentylaniline
PubChem CID156634921
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC NameN-chloro-4-cyclopentylaniline
SMILESClNc1ccc(C2CCCC2)cc1
InChIInChI=1S/C11H14ClN/c12-13-11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,13H,1-4H2
InChIKeyHILFBLAYXCYXRH-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-4-cyclopentylaniline?
The IUPAC name of N-chloro-4-cyclopentylaniline (CID 156634921) is N-chloro-4-cyclopentylaniline.
What is the SMILES notation for N-chloro-4-cyclopentylaniline?
The canonical SMILES for N-chloro-4-cyclopentylaniline is ClNc1ccc(C2CCCC2)cc1.
What is the InChIKey of N-chloro-4-cyclopentylaniline?
The InChIKey is HILFBLAYXCYXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c12-13-11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,13H,1-4H2.
What are the key properties of N-chloro-4-cyclopentylaniline?
N-chloro-4-cyclopentylaniline has a molecular weight of 195.69 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-4-cyclopentylaniline is sourced from PubChem (CID 156634921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).