2-[[3-(aminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

C11H21F3N2O — CID 83980414

IUPAC2-[[3-(aminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNCC1CCC(CN(CCO)CC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)8-16(3-4-17)7-10-2-1-9(5-10)6-15/h9-10,17H,1-8,15H2
InChIKeyLUGRZQRDMLWSQS-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.22
Rot. Bonds6

About 2-[[3-(aminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[[3-(aminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 83980414) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3-(aminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID83980414
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[[3-(aminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNCC1CCC(CN(CCO)CC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)8-16(3-4-17)7-10-2-1-9(5-10)6-15/h9-10,17H,1-8,15H2
InChIKeyLUGRZQRDMLWSQS-UHFFFAOYSA-N
XLogP1.22
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(aminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

3-(2-Cyclopentylethylamino)-1,1,1-trifluoropropan-2-ol
CID 63900446
3-(Cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 63901061
3-[3-(2-Aminoethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 64028740
3-[[2-(Aminomethyl)cyclopentyl]-ethylamino]-1,1,1-trifluoropropan-2-ol
CID 65828904
3-[[2-(Aminomethyl)cyclopentyl]-methylamino]-1,1,1-trifluoropropan-2-ol
CID 65849569
2-[Cyclopentylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103864876
3-(Cyclopentylmethylamino)-1,1-difluoropropan-2-ol
CID 103923465
3-(3-Cyclopentylpropylamino)-1,1,1-trifluoropropan-2-ol
CID 104704520
3-(Cyclopentylmethylamino)-2,2-difluoropropan-1-ol
CID 104857359
1,1,1-Trifluoro-3-[(3-methylcyclopentyl)methylamino]propan-2-ol
CID 107412639
2-[[2-(Aminomethyl)cyclopentyl]-(2,2-difluoroethyl)amino]ethanol
CID 107478847
2-[[2-(Aminomethyl)cyclopentyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478905

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[3-(aminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 83980414) is 2-[[3-(aminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[3-(aminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[3-(aminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is NCC1CCC(CN(CCO)CC(F)(F)F)C1.
What is the InChIKey of 2-[[3-(aminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is LUGRZQRDMLWSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c12-11(13,14)8-16(3-4-17)7-10-2-1-9(5-10)6-15/h9-10,17H,1-8,15H2.
What are the key properties of 2-[[3-(aminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[3-(aminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 254.30 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 83980414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).