5-methyl-N-[[2-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-imine

C19H19F3N2 — CID 135674278

IUPAC5-methyl-N-[[2-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-imine
SMILESCC1CC/C(=N/Cc2ccccc2-c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C19H19F3N2/c1-13-9-10-18(24-13)23-12-15-5-2-3-8-17(15)14-6-4-7-16(11-14)19(20,21)22/h2-8,11,13H,9-10,12H2,1H3,(H,23,24)
InChIKeyWAQXWOGHXRWVPD-UHFFFAOYSA-N
MW332.37 g/mol
LogP5.04
Rot. Bonds3

About 5-methyl-N-[[2-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-imine

5-methyl-N-[[2-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-imine (PubChem CID 135674278) has the molecular formula C19H19F3N2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 5-methyl-N-[[2-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-imine.

Molecular Properties

Compound Name5-methyl-N-[[2-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-imine
PubChem CID135674278
Molecular FormulaC19H19F3N2
Molecular Weight332.37 g/mol
Exact Mass332.15
IUPAC Name5-methyl-N-[[2-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-imine
SMILESCC1CC/C(=N/Cc2ccccc2-c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C19H19F3N2/c1-13-9-10-18(24-13)23-12-15-5-2-3-8-17(15)14-6-4-7-16(11-14)19(20,21)22/h2-8,11,13H,9-10,12H2,1H3,(H,23,24)
InChIKeyWAQXWOGHXRWVPD-UHFFFAOYSA-N
XLogP5.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.37
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-imine?
The IUPAC name of 5-methyl-N-[[2-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-imine (CID 135674278) is 5-methyl-N-[[2-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-imine.
What is the SMILES notation for 5-methyl-N-[[2-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-imine?
The canonical SMILES for 5-methyl-N-[[2-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-imine is CC1CC/C(=N/Cc2ccccc2-c2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of 5-methyl-N-[[2-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-imine?
The InChIKey is WAQXWOGHXRWVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2/c1-13-9-10-18(24-13)23-12-15-5-2-3-8-17(15)14-6-4-7-16(11-14)19(20,21)22/h2-8,11,13H,9-10,12H2,1H3,(H,23,24).
What are the key properties of 5-methyl-N-[[2-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-imine?
5-methyl-N-[[2-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-imine has a molecular weight of 332.37 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[2-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-imine is sourced from PubChem (CID 135674278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).