2-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine

C16H24F2N2O — CID 83219179

IUPAC2-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
SMILESCCC1CCC(C)N1C(CN)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H24F2N2O/c1-3-13-7-4-11(2)20(13)15(10-19)12-5-8-14(9-6-12)21-16(17)18/h5-6,8-9,11,13,15-16H,3-4,7,10,19H2,1-2H3
InChIKeyXNOJXLBEIGRZPN-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.55
Rot. Bonds6

About 2-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine

2-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine (PubChem CID 83219179) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
PubChem CID83219179
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
SMILESCCC1CCC(C)N1C(CN)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H24F2N2O/c1-3-13-7-4-11(2)20(13)15(10-19)12-5-8-14(9-6-12)21-16(17)18/h5-6,8-9,11,13,15-16H,3-4,7,10,19H2,1-2H3
InChIKeyXNOJXLBEIGRZPN-UHFFFAOYSA-N
XLogP3.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine (CID 83219179) is 2-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine is CCC1CCC(C)N1C(CN)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine?
The InChIKey is XNOJXLBEIGRZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-3-13-7-4-11(2)20(13)15(10-19)12-5-8-14(9-6-12)21-16(17)18/h5-6,8-9,11,13,15-16H,3-4,7,10,19H2,1-2H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine?
2-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine has a molecular weight of 298.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 83219179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).