5-chloro-2-(2-cyclohexylethoxy)aniline

C14H20ClNO — CID 26189241

IUPAC5-chloro-2-(2-cyclohexylethoxy)aniline
SMILESNc1cc(Cl)ccc1OCCC1CCCCC1
InChIInChI=1S/C14H20ClNO/c15-12-6-7-14(13(16)10-12)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,16H2
InChIKeyKZCCHVLYYVDGBZ-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.27
Rot. Bonds4

About 5-chloro-2-(2-cyclohexylethoxy)aniline

5-chloro-2-(2-cyclohexylethoxy)aniline (PubChem CID 26189241) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 5-chloro-2-(2-cyclohexylethoxy)aniline.

Molecular Properties

Compound Name5-chloro-2-(2-cyclohexylethoxy)aniline
PubChem CID26189241
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name5-chloro-2-(2-cyclohexylethoxy)aniline
SMILESNc1cc(Cl)ccc1OCCC1CCCCC1
InChIInChI=1S/C14H20ClNO/c15-12-6-7-14(13(16)10-12)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,16H2
InChIKeyKZCCHVLYYVDGBZ-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(2-cyclohexylethoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-cyclohexylethoxy)aniline?
The IUPAC name of 5-chloro-2-(2-cyclohexylethoxy)aniline (CID 26189241) is 5-chloro-2-(2-cyclohexylethoxy)aniline.
What is the SMILES notation for 5-chloro-2-(2-cyclohexylethoxy)aniline?
The canonical SMILES for 5-chloro-2-(2-cyclohexylethoxy)aniline is Nc1cc(Cl)ccc1OCCC1CCCCC1.
What is the InChIKey of 5-chloro-2-(2-cyclohexylethoxy)aniline?
The InChIKey is KZCCHVLYYVDGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-12-6-7-14(13(16)10-12)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,16H2.
What are the key properties of 5-chloro-2-(2-cyclohexylethoxy)aniline?
5-chloro-2-(2-cyclohexylethoxy)aniline has a molecular weight of 253.77 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-cyclohexylethoxy)aniline is sourced from PubChem (CID 26189241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).