2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline

C15H23NO2 — CID 114340540

IUPAC2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline
SMILESCOc1ccc(N)c(OC2CCC(C)(C)CC2)c1
InChIInChI=1S/C15H23NO2/c1-15(2)8-6-11(7-9-15)18-14-10-12(17-3)4-5-13(14)16/h4-5,10-11H,6-9,16H2,1-3H3
InChIKeyCENVGOQPHHYYHA-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.62
Rot. Bonds3

About 2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline

2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline (PubChem CID 114340540) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline
PubChem CID114340540
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline
SMILESCOc1ccc(N)c(OC2CCC(C)(C)CC2)c1
InChIInChI=1S/C15H23NO2/c1-15(2)8-6-11(7-9-15)18-14-10-12(17-3)4-5-13(14)16/h4-5,10-11H,6-9,16H2,1-3H3
InChIKeyCENVGOQPHHYYHA-UHFFFAOYSA-N
XLogP3.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline (CID 114340540) is 2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline is COc1ccc(N)c(OC2CCC(C)(C)CC2)c1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline?
The InChIKey is CENVGOQPHHYYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2)8-6-11(7-9-15)18-14-10-12(17-3)4-5-13(14)16/h4-5,10-11H,6-9,16H2,1-3H3.
What are the key properties of 2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline?
2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline has a molecular weight of 249.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline is sourced from PubChem (CID 114340540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).