N-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine

C15H28F3NO — CID 62109072

IUPACN-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCC(F)(F)F)CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H28F3NO/c1-5-19-10-14(20-11-15(16,17)18)8-6-12(7-9-14)13(2,3)4/h12,19H,5-11H2,1-4H3
InChIKeyMCHFBJLTZGJOOV-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.15
Rot. Bonds5

About N-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine

N-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine (PubChem CID 62109072) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
PubChem CID62109072
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCC(F)(F)F)CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H28F3NO/c1-5-19-10-14(20-11-15(16,17)18)8-6-12(7-9-14)13(2,3)4/h12,19H,5-11H2,1-4H3
InChIKeyMCHFBJLTZGJOOV-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.15
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-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 55036775
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-ethyl-4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61755493
4-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61756303
4-tert-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61757104
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

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine (CID 62109072) is N-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine is CCNCC1(OCC(F)(F)F)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine?
The InChIKey is MCHFBJLTZGJOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-5-19-10-14(20-11-15(16,17)18)8-6-12(7-9-14)13(2,3)4/h12,19H,5-11H2,1-4H3.
What are the key properties of N-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine?
N-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine has a molecular weight of 295.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 62109072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).