N-methyl-1-[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

C11H20F3NO — CID 62110278

IUPACN-methyl-1-[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCNCC1(OCC(F)(F)F)CCCC(C)C1
InChIInChI=1S/C11H20F3NO/c1-9-4-3-5-10(6-9,7-15-2)16-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyQHNYZHSPEIIYIH-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds4

About N-methyl-1-[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

N-methyl-1-[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (PubChem CID 62110278) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
PubChem CID62110278
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-methyl-1-[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCNCC1(OCC(F)(F)F)CCCC(C)C1
InChIInChI=1S/C11H20F3NO/c1-9-4-3-5-10(6-9,7-15-2)16-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyQHNYZHSPEIIYIH-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036485
N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036636
N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 55036776
N-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 55036821
1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine
CID 55036822
N-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
CID 55093431
N,4-dimethyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61754904
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62108898
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 62108899
N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62110251
[3-Methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62110277
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62110412

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (CID 62110278) is N-methyl-1-[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is CNCC1(OCC(F)(F)F)CCCC(C)C1.
What is the InChIKey of N-methyl-1-[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The InChIKey is QHNYZHSPEIIYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9-4-3-5-10(6-9,7-15-2)16-8-11(12,13)14/h9,15H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
N-methyl-1-[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 62110278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).