N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine

C15H28F3NO — CID 81031946

IUPACN-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1CCCOCC(F)(F)F
InChIInChI=1S/C15H28F3NO/c1-3-19-10-14-7-6-12(2)9-13(14)5-4-8-20-11-15(16,17)18/h12-14,19H,3-11H2,1-2H3
InChIKeyYXCDMVIVHCQVQU-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.01
Rot. Bonds8

About N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine

N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine (PubChem CID 81031946) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine
PubChem CID81031946
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1CCCOCC(F)(F)F
InChIInChI=1S/C15H28F3NO/c1-3-19-10-14-7-6-12(2)9-13(14)5-4-8-20-11-15(16,17)18/h12-14,19H,3-11H2,1-2H3
InChIKeyYXCDMVIVHCQVQU-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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 N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine (CID 81031946) is N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine is CCNCC1CCC(C)CC1CCCOCC(F)(F)F.
What is the InChIKey of N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine?
The InChIKey is YXCDMVIVHCQVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-3-19-10-14-7-6-12(2)9-13(14)5-4-8-20-11-15(16,17)18/h12-14,19H,3-11H2,1-2H3.
What are the key properties of N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine?
N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine has a molecular weight of 295.39 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81031946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).