2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine

C16H23F3N2 — CID 107521951

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCCC1CCC(C)N1CC(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H23F3N2/c1-3-14-9-4-11(2)21(14)10-15(20)12-5-7-13(8-6-12)16(17,18)19/h5-8,11,14-15H,3-4,9-10,20H2,1-2H3
InChIKeyUIKIISXAZZLJEA-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.97
Rot. Bonds4

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine

2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 107521951) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID107521951
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCCC1CCC(C)N1CC(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H23F3N2/c1-3-14-9-4-11(2)21(14)10-15(20)12-5-7-13(8-6-12)16(17,18)19/h5-8,11,14-15H,3-4,9-10,20H2,1-2H3
InChIKeyUIKIISXAZZLJEA-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 107521951) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine is CCC1CCC(C)N1CC(N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is UIKIISXAZZLJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-3-14-9-4-11(2)21(14)10-15(20)12-5-7-13(8-6-12)16(17,18)19/h5-8,11,14-15H,3-4,9-10,20H2,1-2H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 300.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 107521951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).