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

C13H17F3N2 — CID 43315146

IUPACN-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESCCNC1CCN(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H17F3N2/c1-2-17-11-6-7-18(9-11)12-5-3-4-10(8-12)13(14,15)16/h3-5,8,11,17H,2,6-7,9H2,1H3
InChIKeyUVZMXRQIKUNRIU-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.89
Rot. Bonds3

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

N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine (PubChem CID 43315146) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
PubChem CID43315146
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC NameN-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESCCNC1CCN(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H17F3N2/c1-2-17-11-6-7-18(9-11)12-5-3-4-10(8-12)13(14,15)16/h3-5,8,11,17H,2,6-7,9H2,1H3
InChIKeyUVZMXRQIKUNRIU-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

3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 123229345
N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine
CID 117002935
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylpyrrolidin-3-amine
CID 60862803
3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine
CID 130392683
N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513041
N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315015
(3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 11516096
1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 51063840
1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine
CID 43315457
1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine
CID 154771446
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 146485945
2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 21096919

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine (CID 43315146) is N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine is CCNC1CCN(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is UVZMXRQIKUNRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-2-17-11-6-7-18(9-11)12-5-3-4-10(8-12)13(14,15)16/h3-5,8,11,17H,2,6-7,9H2,1H3.
What are the key properties of N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
N-ethyl-1-[3-(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-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 43315146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).