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

C13H22F3NO — CID 62110753

IUPACN-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)(OCC(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c1-10-4-6-12(7-5-10,8-17-11-2-3-11)18-9-13(14,15)16/h10-11,17H,2-9H2,1H3
InChIKeyPWIPOPCBWMAYOY-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.27
Rot. Bonds5

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

N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine (PubChem CID 62110753) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
PubChem CID62110753
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)(OCC(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c1-10-4-6-12(7-5-10,8-17-11-2-3-11)18-9-13(14,15)16/h10-11,17H,2-9H2,1H3
InChIKeyPWIPOPCBWMAYOY-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine 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]cyclopropanamine?
The IUPAC name of N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine (CID 62110753) is N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine is CC1CCC(CNC2CC2)(OCC(F)(F)F)CC1.
What is the InChIKey of N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is PWIPOPCBWMAYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-10-4-6-12(7-5-10,8-17-11-2-3-11)18-9-13(14,15)16/h10-11,17H,2-9H2,1H3.
What are the key properties of N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 265.32 g/mol, XLogP of 3.27, 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]cyclopropanamine is sourced from PubChem (CID 62110753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).