5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline

C17H26ClNO — CID 63450861

IUPAC5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline
SMILESCCOc1ccc(Cl)cc1NC1CC(C)CC(C)(C)C1
InChIInChI=1S/C17H26ClNO/c1-5-20-16-7-6-13(18)9-15(16)19-14-8-12(2)10-17(3,4)11-14/h6-7,9,12,14,19H,5,8,10-11H2,1-4H3
InChIKeyLINOZRQCVOOBAA-UHFFFAOYSA-N
MW295.85 g/mol
LogP5.37
Rot. Bonds4

About 5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline

5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline (PubChem CID 63450861) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline
PubChem CID63450861
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline
SMILESCCOc1ccc(Cl)cc1NC1CC(C)CC(C)(C)C1
InChIInChI=1S/C17H26ClNO/c1-5-20-16-7-6-13(18)9-15(16)19-14-8-12(2)10-17(3,4)11-14/h6-7,9,12,14,19H,5,8,10-11H2,1-4H3
InChIKeyLINOZRQCVOOBAA-UHFFFAOYSA-N
XLogP5.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.85
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)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-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline?
The IUPAC name of 5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline (CID 63450861) is 5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline.
What is the SMILES notation for 5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline?
The canonical SMILES for 5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline is CCOc1ccc(Cl)cc1NC1CC(C)CC(C)(C)C1.
What is the InChIKey of 5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline?
The InChIKey is LINOZRQCVOOBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-5-20-16-7-6-13(18)9-15(16)19-14-8-12(2)10-17(3,4)11-14/h6-7,9,12,14,19H,5,8,10-11H2,1-4H3.
What are the key properties of 5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline?
5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline has a molecular weight of 295.85 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline is sourced from PubChem (CID 63450861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).