2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine

C14H19F3N2 — CID 63052117

IUPAC2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine
SMILESCCC1CCCN1C(CN)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H19F3N2/c1-2-10-4-3-5-19(10)13(8-18)9-6-11(15)14(17)12(16)7-9/h6-7,10,13H,2-5,8,18H2,1H3
InChIKeyUPNNMMPBQIEZIT-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.98
Rot. Bonds4

About 2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine

2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine (PubChem CID 63052117) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine
PubChem CID63052117
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine
SMILESCCC1CCCN1C(CN)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H19F3N2/c1-2-10-4-3-5-19(10)13(8-18)9-6-11(15)14(17)12(16)7-9/h6-7,10,13H,2-5,8,18H2,1H3
InChIKeyUPNNMMPBQIEZIT-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine?
The IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine (CID 63052117) is 2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine is CCC1CCCN1C(CN)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine?
The InChIKey is UPNNMMPBQIEZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-2-10-4-3-5-19(10)13(8-18)9-6-11(15)14(17)12(16)7-9/h6-7,10,13H,2-5,8,18H2,1H3.
What are the key properties of 2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine?
2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine has a molecular weight of 272.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 63052117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).