2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine

C13H17ClF2N2 — CID 58948568

IUPAC2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine
SMILESCNCC(c1ccccc1Cl)N1CCC(F)(F)C1
InChIInChI=1S/C13H17ClF2N2/c1-17-8-12(10-4-2-3-5-11(10)14)18-7-6-13(15,16)9-18/h2-5,12,17H,6-9H2,1H3
InChIKeyGATSZBDICZYXGN-UHFFFAOYSA-N
MW274.74 g/mol
LogP2.94
Rot. Bonds4

About 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine

2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine (PubChem CID 58948568) has the molecular formula C13H17ClF2N2 and a molecular weight of 274.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine
PubChem CID58948568
Molecular FormulaC13H17ClF2N2
Molecular Weight274.74 g/mol
Exact Mass274.10
IUPAC Name2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine
SMILESCNCC(c1ccccc1Cl)N1CCC(F)(F)C1
InChIInChI=1S/C13H17ClF2N2/c1-17-8-12(10-4-2-3-5-11(10)14)18-7-6-13(15,16)9-18/h2-5,12,17H,6-9H2,1H3
InChIKeyGATSZBDICZYXGN-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.74
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine (CID 58948568) is 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine is CNCC(c1ccccc1Cl)N1CCC(F)(F)C1.
What is the InChIKey of 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine?
The InChIKey is GATSZBDICZYXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF2N2/c1-17-8-12(10-4-2-3-5-11(10)14)18-7-6-13(15,16)9-18/h2-5,12,17H,6-9H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine?
2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine has a molecular weight of 274.74 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine is sourced from PubChem (CID 58948568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).