2-[[1-(ethylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

C13H25F3N2O — CID 107487003

IUPAC2-[[1-(ethylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCNCC1(CN(CCO)CC(F)(F)F)CCCC1
InChIInChI=1S/C13H25F3N2O/c1-2-17-9-12(5-3-4-6-12)10-18(7-8-19)11-13(14,15)16/h17,19H,2-11H2,1H3
InChIKeyZZMFRNSSDKQKJR-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.01
Rot. Bonds8

About 2-[[1-(ethylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[[1-(ethylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107487003) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[[1-(ethylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[1-(ethylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107487003
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name2-[[1-(ethylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCNCC1(CN(CCO)CC(F)(F)F)CCCC1
InChIInChI=1S/C13H25F3N2O/c1-2-17-9-12(5-3-4-6-12)10-18(7-8-19)11-13(14,15)16/h17,19H,2-11H2,1H3
InChIKeyZZMFRNSSDKQKJR-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(ethylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol 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 2-[[1-(ethylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[1-(ethylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107487003) is 2-[[1-(ethylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[1-(ethylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[1-(ethylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is CCNCC1(CN(CCO)CC(F)(F)F)CCCC1.
What is the InChIKey of 2-[[1-(ethylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is ZZMFRNSSDKQKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-2-17-9-12(5-3-4-6-12)10-18(7-8-19)11-13(14,15)16/h17,19H,2-11H2,1H3.
What are the key properties of 2-[[1-(ethylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[1-(ethylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 282.35 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(ethylaminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107487003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).