[4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

C14H26F3NO — CID 43428742

IUPAC[4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(OCC(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-4-13(2,3)11-6-5-10(8-18)12(7-11)19-9-14(15,16)17/h10-12H,4-9,18H2,1-3H3
InChIKeyHXPPUYFYJGVFCC-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.75
Rot. Bonds5

About [4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

[4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (PubChem CID 43428742) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
PubChem CID43428742
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name[4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(OCC(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-4-13(2,3)11-6-5-10(8-18)12(7-11)19-9-14(15,16)17/h10-12H,4-9,18H2,1-3H3
InChIKeyHXPPUYFYJGVFCC-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine with MolForge

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Related Compounds

4-Tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 16784604
[4-Tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43329417
[4-Ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43329445
[4-Propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428737
[4-Ethyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428738
[4-Methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428739
[4-Propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428921
[4-Methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428922
[4-(2-Methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428925
[4-Tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428926
3,3,3-Trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
CID 43752924
3-(2-Ethylcyclohexyl)oxy-4,4,4-trifluorobutan-1-amine
CID 43753306

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The IUPAC name of [4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (CID 43428742) is [4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)C(OCC(F)(F)F)C1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The InChIKey is HXPPUYFYJGVFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-4-13(2,3)11-6-5-10(8-18)12(7-11)19-9-14(15,16)17/h10-12H,4-9,18H2,1-3H3.
What are the key properties of [4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
[4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine has a molecular weight of 281.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43428742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).