2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline

C14H20ClNO — CID 104835060

IUPAC2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline
SMILESCC1CCC(Oc2cccc(Cl)c2N)CC1C
InChIInChI=1S/C14H20ClNO/c1-9-6-7-11(8-10(9)2)17-13-5-3-4-12(15)14(13)16/h3-5,9-11H,6-8,16H2,1-2H3
InChIKeyLCMJOFWLOAQZEW-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.13
Rot. Bonds2

About 2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline

2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline (PubChem CID 104835060) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline.

Molecular Properties

Compound Name2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline
PubChem CID104835060
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline
SMILESCC1CCC(Oc2cccc(Cl)c2N)CC1C
InChIInChI=1S/C14H20ClNO/c1-9-6-7-11(8-10(9)2)17-13-5-3-4-12(15)14(13)16/h3-5,9-11H,6-8,16H2,1-2H3
InChIKeyLCMJOFWLOAQZEW-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline 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 2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline?
The IUPAC name of 2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline (CID 104835060) is 2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline.
What is the SMILES notation for 2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline?
The canonical SMILES for 2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline is CC1CCC(Oc2cccc(Cl)c2N)CC1C.
What is the InChIKey of 2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline?
The InChIKey is LCMJOFWLOAQZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9-6-7-11(8-10(9)2)17-13-5-3-4-12(15)14(13)16/h3-5,9-11H,6-8,16H2,1-2H3.
What are the key properties of 2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline?
2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline has a molecular weight of 253.77 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline is sourced from PubChem (CID 104835060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).