1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine

C14H18F2N2 — CID 113491642

IUPAC1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine
SMILESCC1CC(Nc2cccc(F)c2F)CN1C1CC1
InChIInChI=1S/C14H18F2N2/c1-9-7-10(8-18(9)11-5-6-11)17-13-4-2-3-12(15)14(13)16/h2-4,9-11,17H,5-8H2,1H3
InChIKeyQEAHEYPVTRCJMI-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.00
Rot. Bonds3

About 1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine

1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine (PubChem CID 113491642) has the molecular formula C14H18F2N2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine
PubChem CID113491642
Molecular FormulaC14H18F2N2
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine
SMILESCC1CC(Nc2cccc(F)c2F)CN1C1CC1
InChIInChI=1S/C14H18F2N2/c1-9-7-10(8-18(9)11-5-6-11)17-13-4-2-3-12(15)14(13)16/h2-4,9-11,17H,5-8H2,1H3
InChIKeyQEAHEYPVTRCJMI-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine (CID 113491642) is 1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine is CC1CC(Nc2cccc(F)c2F)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine?
The InChIKey is QEAHEYPVTRCJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2/c1-9-7-10(8-18(9)11-5-6-11)17-13-4-2-3-12(15)14(13)16/h2-4,9-11,17H,5-8H2,1H3.
What are the key properties of 1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine?
1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine has a molecular weight of 252.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 113491642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).