1-[3-[2-(2,6-difluorophenyl)propyl]pyrrolidin-1-yl]-N-(2,5-dimethylphenyl)ethanimine

C23H28F2N2 — CID 59581692

IUPAC1-[3-[2-(2,6-difluorophenyl)propyl]pyrrolidin-1-yl]-N-(2,5-dimethylphenyl)ethanimine
SMILESC/C(=N\c1cc(C)ccc1C)N1CCC(CC(C)c2c(F)cccc2F)C1
InChIInChI=1S/C23H28F2N2/c1-15-8-9-16(2)22(12-15)26-18(4)27-11-10-19(14-27)13-17(3)23-20(24)6-5-7-21(23)25/h5-9,12,17,19H,10-11,13-14H2,1-4H3/b26-18+
InChIKeyFCFGFOUSBPATFJ-NLRVBDNBSA-N
MW370.49 g/mol
LogP6.15
Rot. Bonds4

About 1-[3-[2-(2,6-difluorophenyl)propyl]pyrrolidin-1-yl]-N-(2,5-dimethylphenyl)ethanimine

1-[3-[2-(2,6-difluorophenyl)propyl]pyrrolidin-1-yl]-N-(2,5-dimethylphenyl)ethanimine (PubChem CID 59581692) has the molecular formula C23H28F2N2 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-[3-[2-(2,6-difluorophenyl)propyl]pyrrolidin-1-yl]-N-(2,5-dimethylphenyl)ethanimine.

Molecular Properties

Compound Name1-[3-[2-(2,6-difluorophenyl)propyl]pyrrolidin-1-yl]-N-(2,5-dimethylphenyl)ethanimine
PubChem CID59581692
Molecular FormulaC23H28F2N2
Molecular Weight370.49 g/mol
Exact Mass370.22
IUPAC Name1-[3-[2-(2,6-difluorophenyl)propyl]pyrrolidin-1-yl]-N-(2,5-dimethylphenyl)ethanimine
SMILESC/C(=N\c1cc(C)ccc1C)N1CCC(CC(C)c2c(F)cccc2F)C1
InChIInChI=1S/C23H28F2N2/c1-15-8-9-16(2)22(12-15)26-18(4)27-11-10-19(14-27)13-17(3)23-20(24)6-5-7-21(23)25/h5-9,12,17,19H,10-11,13-14H2,1-4H3/b26-18+
InChIKeyFCFGFOUSBPATFJ-NLRVBDNBSA-N
XLogP6.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2,6-difluorophenyl)propyl]pyrrolidin-1-yl]-N-(2,5-dimethylphenyl)ethanimine?
The IUPAC name of 1-[3-[2-(2,6-difluorophenyl)propyl]pyrrolidin-1-yl]-N-(2,5-dimethylphenyl)ethanimine (CID 59581692) is 1-[3-[2-(2,6-difluorophenyl)propyl]pyrrolidin-1-yl]-N-(2,5-dimethylphenyl)ethanimine.
What is the SMILES notation for 1-[3-[2-(2,6-difluorophenyl)propyl]pyrrolidin-1-yl]-N-(2,5-dimethylphenyl)ethanimine?
The canonical SMILES for 1-[3-[2-(2,6-difluorophenyl)propyl]pyrrolidin-1-yl]-N-(2,5-dimethylphenyl)ethanimine is C/C(=N\c1cc(C)ccc1C)N1CCC(CC(C)c2c(F)cccc2F)C1.
What is the InChIKey of 1-[3-[2-(2,6-difluorophenyl)propyl]pyrrolidin-1-yl]-N-(2,5-dimethylphenyl)ethanimine?
The InChIKey is FCFGFOUSBPATFJ-NLRVBDNBSA-N. The full InChI is InChI=1S/C23H28F2N2/c1-15-8-9-16(2)22(12-15)26-18(4)27-11-10-19(14-27)13-17(3)23-20(24)6-5-7-21(23)25/h5-9,12,17,19H,10-11,13-14H2,1-4H3/b26-18+.
What are the key properties of 1-[3-[2-(2,6-difluorophenyl)propyl]pyrrolidin-1-yl]-N-(2,5-dimethylphenyl)ethanimine?
1-[3-[2-(2,6-difluorophenyl)propyl]pyrrolidin-1-yl]-N-(2,5-dimethylphenyl)ethanimine has a molecular weight of 370.49 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2,6-difluorophenyl)propyl]pyrrolidin-1-yl]-N-(2,5-dimethylphenyl)ethanimine is sourced from PubChem (CID 59581692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).