N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine

C14H26F3NO — CID 55106739

IUPACN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C14H26F3NO/c1-12(2)18-10-13(6-4-3-5-7-13)8-9-19-11-14(15,16)17/h12,18H,3-11H2,1-2H3
InChIKeyVJXZIIQEJSCHEE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds7

About N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine

N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 55106739) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine
PubChem CID55106739
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C14H26F3NO/c1-12(2)18-10-13(6-4-3-5-7-13)8-9-19-11-14(15,16)17/h12,18H,3-11H2,1-2H3
InChIKeyVJXZIIQEJSCHEE-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine (CID 55106739) is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine is CC(C)NCC1(CCOCC(F)(F)F)CCCCC1.
What is the InChIKey of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is VJXZIIQEJSCHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-12(2)18-10-13(6-4-3-5-7-13)8-9-19-11-14(15,16)17/h12,18H,3-11H2,1-2H3.
What are the key properties of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine?
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 55106739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).