2-[[3-(2,5-difluorophenyl)-2-fluorophenyl]methyl]-N-methylpyrrolidin-3-amine

C18H19F3N2 — CID 137471144

IUPAC2-[[3-(2,5-difluorophenyl)-2-fluorophenyl]methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCNC1Cc1cccc(-c2cc(F)ccc2F)c1F
InChIInChI=1S/C18H19F3N2/c1-22-16-7-8-23-17(16)9-11-3-2-4-13(18(11)21)14-10-12(19)5-6-15(14)20/h2-6,10,16-17,22-23H,7-9H2,1H3
InChIKeyBRFRADMCAPVNJQ-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.26
Rot. Bonds4

About 2-[[3-(2,5-difluorophenyl)-2-fluorophenyl]methyl]-N-methylpyrrolidin-3-amine

2-[[3-(2,5-difluorophenyl)-2-fluorophenyl]methyl]-N-methylpyrrolidin-3-amine (PubChem CID 137471144) has the molecular formula C18H19F3N2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-[[3-(2,5-difluorophenyl)-2-fluorophenyl]methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name2-[[3-(2,5-difluorophenyl)-2-fluorophenyl]methyl]-N-methylpyrrolidin-3-amine
PubChem CID137471144
Molecular FormulaC18H19F3N2
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name2-[[3-(2,5-difluorophenyl)-2-fluorophenyl]methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCNC1Cc1cccc(-c2cc(F)ccc2F)c1F
InChIInChI=1S/C18H19F3N2/c1-22-16-7-8-23-17(16)9-11-3-2-4-13(18(11)21)14-10-12(19)5-6-15(14)20/h2-6,10,16-17,22-23H,7-9H2,1H3
InChIKeyBRFRADMCAPVNJQ-UHFFFAOYSA-N
XLogP3.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,5-difluorophenyl)-2-fluorophenyl]methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 2-[[3-(2,5-difluorophenyl)-2-fluorophenyl]methyl]-N-methylpyrrolidin-3-amine (CID 137471144) is 2-[[3-(2,5-difluorophenyl)-2-fluorophenyl]methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 2-[[3-(2,5-difluorophenyl)-2-fluorophenyl]methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 2-[[3-(2,5-difluorophenyl)-2-fluorophenyl]methyl]-N-methylpyrrolidin-3-amine is CNC1CCNC1Cc1cccc(-c2cc(F)ccc2F)c1F.
What is the InChIKey of 2-[[3-(2,5-difluorophenyl)-2-fluorophenyl]methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is BRFRADMCAPVNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2/c1-22-16-7-8-23-17(16)9-11-3-2-4-13(18(11)21)14-10-12(19)5-6-15(14)20/h2-6,10,16-17,22-23H,7-9H2,1H3.
What are the key properties of 2-[[3-(2,5-difluorophenyl)-2-fluorophenyl]methyl]-N-methylpyrrolidin-3-amine?
2-[[3-(2,5-difluorophenyl)-2-fluorophenyl]methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 320.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,5-difluorophenyl)-2-fluorophenyl]methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 137471144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).