2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol

C15H21F3N2O — CID 106606388

IUPAC2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol
SMILESOCCN(Cc1cccc(C(F)(F)F)c1)CC1CCCN1
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)13-4-1-3-12(9-13)10-20(7-8-21)11-14-5-2-6-19-14/h1,3-4,9,14,19,21H,2,5-8,10-11H2
InChIKeyKKJIDJUBENMMFK-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.25
Rot. Bonds6

About 2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol

2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol (PubChem CID 106606388) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol
PubChem CID106606388
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol
SMILESOCCN(Cc1cccc(C(F)(F)F)c1)CC1CCCN1
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)13-4-1-3-12(9-13)10-20(7-8-21)11-14-5-2-6-19-14/h1,3-4,9,14,19,21H,2,5-8,10-11H2
InChIKeyKKJIDJUBENMMFK-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607121
2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606862
2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606438
4-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzoic acid
CID 106617921
2-[(2-chloro-4-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618047
2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606786
2-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]pyrrolidine
CID 115070999
2-[(5-bromo-3-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606967
3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607083
2-[(2,4-difluorophenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606887
N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731958
N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605874

Frequently Asked Questions

What is the IUPAC name of 2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol?
The IUPAC name of 2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol (CID 106606388) is 2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol?
The canonical SMILES for 2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol is OCCN(Cc1cccc(C(F)(F)F)c1)CC1CCCN1.
What is the InChIKey of 2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol?
The InChIKey is KKJIDJUBENMMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c16-15(17,18)13-4-1-3-12(9-13)10-20(7-8-21)11-14-5-2-6-19-14/h1,3-4,9,14,19,21H,2,5-8,10-11H2.
What are the key properties of 2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol?
2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol has a molecular weight of 302.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol is sourced from PubChem (CID 106606388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).