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

C14H24F3NO — CID 62111094

IUPACN-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)(OCC(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO/c1-2-11-5-7-13(8-6-11,9-18-12-3-4-12)19-10-14(15,16)17/h11-12,18H,2-10H2,1H3
InChIKeyIHTGNTJAUWWJIX-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.66
Rot. Bonds6

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

N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine (PubChem CID 62111094) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
PubChem CID62111094
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)(OCC(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO/c1-2-11-5-7-13(8-6-11,9-18-12-3-4-12)19-10-14(15,16)17/h11-12,18H,2-10H2,1H3
InChIKeyIHTGNTJAUWWJIX-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-ethyl-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-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine (CID 62111094) is N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine is CCC1CCC(CNC2CC2)(OCC(F)(F)F)CC1.
What is the InChIKey of N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is IHTGNTJAUWWJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-2-11-5-7-13(8-6-11,9-18-12-3-4-12)19-10-14(15,16)17/h11-12,18H,2-10H2,1H3.
What are the key properties of N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 279.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 62111094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).