N-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

C13H24F3NO — CID 105168281

IUPACN-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCNC(COC(C)C)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-9(2)18-8-12(17-3)10-4-6-11(7-5-10)13(14,15)16/h9-12,17H,4-8H2,1-3H3
InChIKeyRJNBLVWALBVVIM-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds5

About N-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

N-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105168281) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105168281
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCNC(COC(C)C)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-9(2)18-8-12(17-3)10-4-6-11(7-5-10)13(14,15)16/h9-12,17H,4-8H2,1-3H3
InChIKeyRJNBLVWALBVVIM-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of N-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (CID 105168281) is N-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for N-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for N-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is CNC(COC(C)C)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is RJNBLVWALBVVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-9(2)18-8-12(17-3)10-4-6-11(7-5-10)13(14,15)16/h9-12,17H,4-8H2,1-3H3.
What are the key properties of N-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
N-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 267.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105168281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).