2-[propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol

C11H21F3N2O — CID 176601977

IUPAC2-[propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
SMILESCC(C)N(CCO)CC1NCCC1C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-8(2)16(5-6-17)7-10-9(3-4-15-10)11(12,13)14/h8-10,15,17H,3-7H2,1-2H3
InChIKeySFKGHOWNCCGBOG-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.23
Rot. Bonds5

About 2-[propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol

2-[propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol (PubChem CID 176601977) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
PubChem CID176601977
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
SMILESCC(C)N(CCO)CC1NCCC1C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-8(2)16(5-6-17)7-10-9(3-4-15-10)11(12,13)14/h8-10,15,17H,3-7H2,1-2H3
InChIKeySFKGHOWNCCGBOG-UHFFFAOYSA-N
XLogP1.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol
CID 71921429
(2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol
CID 66837420
4-Amino-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyrrolidin-3-ol
CID 117706288
2-[[1-(1,1,1-Trifluoropropan-2-yl)pyrrolidin-3-yl]amino]ethanol
CID 117709661
1-(3,3-Difluoropyrrolidin-1-yl)-2-(methoxymethylamino)-3-methylbutan-1-ol
CID 123726990
2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 171505326
1,1,1-Trifluoro-3-[(2-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]propan-2-ol
CID 172205616
ethane;2-(trifluoromethoxy)-N-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 172334266
2-[Methyl-[[4-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 172334324
N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 172334325
2-[Methyl-[2-[4-(trifluoromethyl)pyrrolidin-2-yl]ethyl]amino]ethanol
CID 172334449
2-[2-(3,3-Difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane
CID 172334544

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol (CID 176601977) is 2-[propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol is CC(C)N(CCO)CC1NCCC1C(F)(F)F.
What is the InChIKey of 2-[propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol?
The InChIKey is SFKGHOWNCCGBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-8(2)16(5-6-17)7-10-9(3-4-15-10)11(12,13)14/h8-10,15,17H,3-7H2,1-2H3.
What are the key properties of 2-[propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol?
2-[propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol has a molecular weight of 254.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 176601977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).