1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

C14H26F3NO — CID 103215467

IUPAC1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1CCC(C)C(C)C1
InChIInChI=1S/C14H26F3NO/c1-4-18-13(8-19-9-14(15,16)17)12-6-5-10(2)11(3)7-12/h10-13,18H,4-9H2,1-3H3
InChIKeyTZZRHJZKHXPCJN-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.62
Rot. Bonds6

About 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215467) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215467
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1CCC(C)C(C)C1
InChIInChI=1S/C14H26F3NO/c1-4-18-13(8-19-9-14(15,16)17)12-6-5-10(2)11(3)7-12/h10-13,18H,4-9H2,1-3H3
InChIKeyTZZRHJZKHXPCJN-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215467) is 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is TZZRHJZKHXPCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-4-18-13(8-19-9-14(15,16)17)12-6-5-10(2)11(3)7-12/h10-13,18H,4-9H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).