2-(4,4-dimethylcyclohexyl)oxy-5-(trifluoromethyl)aniline

C15H20F3NO — CID 114340421

IUPAC2-(4,4-dimethylcyclohexyl)oxy-5-(trifluoromethyl)aniline
SMILESCC1(C)CCC(Oc2ccc(C(F)(F)F)cc2N)CC1
InChIInChI=1S/C15H20F3NO/c1-14(2)7-5-11(6-8-14)20-13-4-3-10(9-12(13)19)15(16,17)18/h3-4,9,11H,5-8,19H2,1-2H3
InChIKeyYUAASSPPFSRNQR-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.64
Rot. Bonds2

About 2-(4,4-dimethylcyclohexyl)oxy-5-(trifluoromethyl)aniline

2-(4,4-dimethylcyclohexyl)oxy-5-(trifluoromethyl)aniline (PubChem CID 114340421) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)oxy-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)oxy-5-(trifluoromethyl)aniline
PubChem CID114340421
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-(4,4-dimethylcyclohexyl)oxy-5-(trifluoromethyl)aniline
SMILESCC1(C)CCC(Oc2ccc(C(F)(F)F)cc2N)CC1
InChIInChI=1S/C15H20F3NO/c1-14(2)7-5-11(6-8-14)20-13-4-3-10(9-12(13)19)15(16,17)18/h3-4,9,11H,5-8,19H2,1-2H3
InChIKeyYUAASSPPFSRNQR-UHFFFAOYSA-N
XLogP4.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-5-(trifluoromethyl)aniline (CID 114340421) is 2-(4,4-dimethylcyclohexyl)oxy-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)oxy-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)oxy-5-(trifluoromethyl)aniline is CC1(C)CCC(Oc2ccc(C(F)(F)F)cc2N)CC1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)oxy-5-(trifluoromethyl)aniline?
The InChIKey is YUAASSPPFSRNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-14(2)7-5-11(6-8-14)20-13-4-3-10(9-12(13)19)15(16,17)18/h3-4,9,11H,5-8,19H2,1-2H3.
What are the key properties of 2-(4,4-dimethylcyclohexyl)oxy-5-(trifluoromethyl)aniline?
2-(4,4-dimethylcyclohexyl)oxy-5-(trifluoromethyl)aniline has a molecular weight of 287.32 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)oxy-5-(trifluoromethyl)aniline is sourced from PubChem (CID 114340421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).