1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine

C15H18F2N2 — CID 116790170

IUPAC1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine
SMILESCNC(C)c1cccn1CC(F)(F)c1ccccc1
InChIInChI=1S/C15H18F2N2/c1-12(18-2)14-9-6-10-19(14)11-15(16,17)13-7-4-3-5-8-13/h3-10,12,18H,11H2,1-2H3
InChIKeyAZHHQNUORTXMRT-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.56
Rot. Bonds5

About 1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine

1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine (PubChem CID 116790170) has the molecular formula C15H18F2N2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine
PubChem CID116790170
Molecular FormulaC15H18F2N2
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine
SMILESCNC(C)c1cccn1CC(F)(F)c1ccccc1
InChIInChI=1S/C15H18F2N2/c1-12(18-2)14-9-6-10-19(14)11-15(16,17)13-7-4-3-5-8-13/h3-10,12,18H,11H2,1-2H3
InChIKeyAZHHQNUORTXMRT-UHFFFAOYSA-N
XLogP3.56
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine (CID 116790170) is 1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine is CNC(C)c1cccn1CC(F)(F)c1ccccc1.
What is the InChIKey of 1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine?
The InChIKey is AZHHQNUORTXMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2/c1-12(18-2)14-9-6-10-19(14)11-15(16,17)13-7-4-3-5-8-13/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine?
1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine has a molecular weight of 264.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine is sourced from PubChem (CID 116790170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).