[4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine

C15H20F3NO — CID 43294072

IUPAC[4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine
SMILESCC1CCC(CN)C(Oc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3NO/c1-10-5-6-11(9-19)14(7-10)20-13-4-2-3-12(8-13)15(16,17)18/h2-4,8,10-11,14H,5-7,9,19H2,1H3
InChIKeyOJIQNWZVOHUUSN-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.85
Rot. Bonds3

About [4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine

[4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine (PubChem CID 43294072) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is [4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine
PubChem CID43294072
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name[4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine
SMILESCC1CCC(CN)C(Oc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3NO/c1-10-5-6-11(9-19)14(7-10)20-13-4-2-3-12(8-13)15(16,17)18/h2-4,8,10-11,14H,5-7,9,19H2,1H3
InChIKeyOJIQNWZVOHUUSN-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

[2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294223
[2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293897
[2-(3-tert-butylphenoxy)cyclopentyl]methanamine
CID 43294221
[2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293855
[2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine
CID 43293926
2-(3-methoxyphenoxy)-4-methylcyclohexan-1-amine
CID 16788224
[2-(2-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293992
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
1-(3-bromo-2-methoxycyclobutyl)oxy-3-(trifluoromethyl)benzene
CID 104673925
1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65415364
[2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294242
[4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine
CID 43428941

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine (CID 43294072) is [4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine is CC1CCC(CN)C(Oc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of [4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine?
The InChIKey is OJIQNWZVOHUUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-10-5-6-11(9-19)14(7-10)20-13-4-2-3-12(8-13)15(16,17)18/h2-4,8,10-11,14H,5-7,9,19H2,1H3.
What are the key properties of [4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine?
[4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine has a molecular weight of 287.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine is sourced from PubChem (CID 43294072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).