N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine

C13H24F3NO — CID 55036775

IUPACN-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
SMILESCC1CCC(CNC(C)C)(OCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-10(2)17-8-12(18-9-13(14,15)16)6-4-11(3)5-7-12/h10-11,17H,4-9H2,1-3H3
InChIKeyCQQVFPJFSDWGRD-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds5

About N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine

N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine (PubChem CID 55036775) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
PubChem CID55036775
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
SMILESCC1CCC(CNC(C)C)(OCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-10(2)17-8-12(18-9-13(14,15)16)6-4-11(3)5-7-12/h10-11,17H,4-9H2,1-3H3
InChIKeyCQQVFPJFSDWGRD-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-methyl-1-(2,2,2-trifluoroethoxy)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-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine (CID 55036775) is N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine is CC1CCC(CNC(C)C)(OCC(F)(F)F)CC1.
What is the InChIKey of N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
The InChIKey is CQQVFPJFSDWGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-10(2)17-8-12(18-9-13(14,15)16)6-4-11(3)5-7-12/h10-11,17H,4-9H2,1-3H3.
What are the key properties of N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 55036775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).