3,5-dimethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine

C15H20F3NO — CID 64751977

IUPAC3,5-dimethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine
SMILESCC1CC(C)C(Oc2ccccc2C(F)(F)F)C(N)C1
InChIInChI=1S/C15H20F3NO/c1-9-7-10(2)14(12(19)8-9)20-13-6-4-3-5-11(13)15(16,17)18/h3-6,9-10,12,14H,7-8,19H2,1-2H3
InChIKeyMQAFPXAPPIDGHC-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.85
Rot. Bonds2

About 3,5-dimethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine

3,5-dimethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine (PubChem CID 64751977) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 3,5-dimethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine
PubChem CID64751977
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name3,5-dimethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine
SMILESCC1CC(C)C(Oc2ccccc2C(F)(F)F)C(N)C1
InChIInChI=1S/C15H20F3NO/c1-9-7-10(2)14(12(19)8-9)20-13-6-4-3-5-11(13)15(16,17)18/h3-6,9-10,12,14H,7-8,19H2,1-2H3
InChIKeyMQAFPXAPPIDGHC-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine (CID 64751977) is 3,5-dimethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine is CC1CC(C)C(Oc2ccccc2C(F)(F)F)C(N)C1.
What is the InChIKey of 3,5-dimethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine?
The InChIKey is MQAFPXAPPIDGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-9-7-10(2)14(12(19)8-9)20-13-6-4-3-5-11(13)15(16,17)18/h3-6,9-10,12,14H,7-8,19H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine?
3,5-dimethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine has a molecular weight of 287.32 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine is sourced from PubChem (CID 64751977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).