N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine

C13H17F3N2 — CID 116999995

IUPACN,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESCN(C)C1(c2ccc(C(F)(F)F)cc2)CCNC1
InChIInChI=1S/C13H17F3N2/c1-18(2)12(7-8-17-9-12)10-3-5-11(6-4-10)13(14,15)16/h3-6,17H,7-9H2,1-2H3
InChIKeyJEFUGBSQWSHLKL-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.46
Rot. Bonds2

About N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine

N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine (PubChem CID 116999995) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
PubChem CID116999995
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC NameN,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESCN(C)C1(c2ccc(C(F)(F)F)cc2)CCNC1
InChIInChI=1S/C13H17F3N2/c1-18(2)12(7-8-17-9-12)10-3-5-11(6-4-10)13(14,15)16/h3-6,17H,7-9H2,1-2H3
InChIKeyJEFUGBSQWSHLKL-UHFFFAOYSA-N
XLogP2.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-(4-methylphenyl)pyrrolidin-3-amine
CID 116999979
2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethenimine
CID 162585797
(1S,5S)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 58088333
(1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 143783814
3-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]pyrrolidine
CID 171092981
(2S)-2-[4-(trifluoromethyl)phenyl]-5-azaspiro[2.4]heptane
CID 139543309
azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene
CID 66801661
ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 145295879
4-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine
CID 11842630
1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene
CID 69409357
(1R,8S)-1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[6.1.0]nonane
CID 125492690
3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride
CID 171092805

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine (CID 116999995) is N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine is CN(C)C1(c2ccc(C(F)(F)F)cc2)CCNC1.
What is the InChIKey of N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is JEFUGBSQWSHLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-18(2)12(7-8-17-9-12)10-3-5-11(6-4-10)13(14,15)16/h3-6,17H,7-9H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine has a molecular weight of 258.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 116999995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).