N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine

C13H18F2N2O — CID 81465818

IUPACN-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(Nc2ccccc2OC(F)F)CN1C
InChIInChI=1S/C13H18F2N2O/c1-9-7-10(8-17(9)2)16-11-5-3-4-6-12(11)18-13(14)15/h3-6,9-10,13,16H,7-8H2,1-2H3
InChIKeyYOMMWFLCPMTGIK-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.79
Rot. Bonds4

About N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine

N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81465818) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine
PubChem CID81465818
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(Nc2ccccc2OC(F)F)CN1C
InChIInChI=1S/C13H18F2N2O/c1-9-7-10(8-17(9)2)16-11-5-3-4-6-12(11)18-13(14)15/h3-6,9-10,13,16H,7-8H2,1-2H3
InChIKeyYOMMWFLCPMTGIK-UHFFFAOYSA-N
XLogP2.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine (CID 81465818) is N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine is CC1CC(Nc2ccccc2OC(F)F)CN1C.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is YOMMWFLCPMTGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-9-7-10(8-17(9)2)16-11-5-3-4-6-12(11)18-13(14)15/h3-6,9-10,13,16H,7-8H2,1-2H3.
What are the key properties of N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine?
N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 256.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81465818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).