(4-methylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanamine

C15H20F3NO — CID 104988082

IUPAC(4-methylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCC1CCC(C(N)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C15H20F3NO/c1-10-2-4-11(5-3-10)14(19)12-6-8-13(9-7-12)20-15(16,17)18/h6-11,14H,2-5,19H2,1H3
InChIKeyIRIFYAWYBLLDPS-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.41
Rot. Bonds3

About (4-methylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanamine

(4-methylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 104988082) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is (4-methylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(4-methylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID104988082
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(4-methylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCC1CCC(C(N)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C15H20F3NO/c1-10-2-4-11(5-3-10)14(19)12-6-8-13(9-7-12)20-15(16,17)18/h6-11,14H,2-5,19H2,1H3
InChIKeyIRIFYAWYBLLDPS-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
CID 171208678
N-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 104987916
1-[hydroperoxy-[4-(4-methylcyclohexyl)cyclohexyl]methyl]-4-(trifluoromethoxy)benzene;molecular hydrogen
CID 161210259
(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171210195
(R)-(4-methylcyclohexyl)-pyridin-4-ylmethanamine
CID 96735910
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
(R)-cyclopropyl-(4-trimethylsilyloxyphenyl)methanamine
CID 171207318
(3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 62549202
(4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine
CID 65422984
(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 66511880
[4-[(R)-amino(cyclopropyl)methyl]phenyl] acetate
CID 171209811
(4-cyclopropyloxyphenyl)-(4-propylcyclohexyl)methanamine
CID 114519515

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (4-methylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 104988082) is (4-methylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (4-methylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (4-methylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanamine is CC1CCC(C(N)c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is IRIFYAWYBLLDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-10-2-4-11(5-3-10)14(19)12-6-8-13(9-7-12)20-15(16,17)18/h6-11,14H,2-5,19H2,1H3.
What are the key properties of (4-methylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanamine?
(4-methylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 287.32 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 104988082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).