N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine

C13H17F3N2 — CID 43315015

IUPACN-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESCCNC1CCN(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H17F3N2/c1-2-17-10-7-8-18(9-10)12-6-4-3-5-11(12)13(14,15)16/h3-6,10,17H,2,7-9H2,1H3
InChIKeyAQLUCXIWSZWVIR-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.89
Rot. Bonds3

About N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine

N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine (PubChem CID 43315015) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
PubChem CID43315015
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC NameN-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESCCNC1CCN(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H17F3N2/c1-2-17-10-7-8-18(9-10)12-6-4-3-5-11(12)13(14,15)16/h3-6,10,17H,2,7-9H2,1H3
InChIKeyAQLUCXIWSZWVIR-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315016
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylpyrrolidin-3-amine
CID 60862803
N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62880119
N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315146
N-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine
CID 43315198
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
1-(2-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine
CID 103480318
(3S)-N-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 124828974
N-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 122139005
1-(2-bromophenyl)-N-ethylpiperidin-4-amine
CID 60862139
N-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine
CID 62585621
1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine
CID 81288727

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine (CID 43315015) is N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine is CCNC1CCN(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is AQLUCXIWSZWVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-2-17-10-7-8-18(9-10)12-6-4-3-5-11(12)13(14,15)16/h3-6,10,17H,2,7-9H2,1H3.
What are the key properties of N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine has a molecular weight of 258.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 43315015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).