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

C15H28F3NO — CID 103148585

IUPAC1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCNC(CCOCC(F)(F)F)C1CCC(C)C(C)C1
InChIInChI=1S/C15H28F3NO/c1-4-19-14(7-8-20-10-15(16,17)18)13-6-5-11(2)12(3)9-13/h11-14,19H,4-10H2,1-3H3
InChIKeyULFIUCQEEFYKAG-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.01
Rot. Bonds7

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

1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148585) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148585
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCNC(CCOCC(F)(F)F)C1CCC(C)C(C)C1
InChIInChI=1S/C15H28F3NO/c1-4-19-14(7-8-20-10-15(16,17)18)13-6-5-11(2)12(3)9-13/h11-14,19H,4-10H2,1-3H3
InChIKeyULFIUCQEEFYKAG-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148585) is 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCNC(CCOCC(F)(F)F)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is ULFIUCQEEFYKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-4-19-14(7-8-20-10-15(16,17)18)13-6-5-11(2)12(3)9-13/h11-14,19H,4-10H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 4.01, 7 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-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).