2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine

C15H16F2N2 — CID 104893387

IUPAC2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
SMILESC[C@@H](NCC(F)(F)c1ccccc1)c1ccccn1
InChIInChI=1S/C15H16F2N2/c1-12(14-9-5-6-10-18-14)19-11-15(16,17)13-7-3-2-4-8-13/h2-10,12,19H,11H2,1H3/t12-/m1/s1
InChIKeyPPICGBCCEUUPRW-GFCCVEGCSA-N
MW262.30 g/mol
LogP3.52
Rot. Bonds5

About 2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine

2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine (PubChem CID 104893387) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
PubChem CID104893387
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
SMILESC[C@@H](NCC(F)(F)c1ccccc1)c1ccccn1
InChIInChI=1S/C15H16F2N2/c1-12(14-9-5-6-10-18-14)19-11-15(16,17)13-7-3-2-4-8-13/h2-10,12,19H,11H2,1H3/t12-/m1/s1
InChIKeyPPICGBCCEUUPRW-GFCCVEGCSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine?
The IUPAC name of 2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine (CID 104893387) is 2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine?
The canonical SMILES for 2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine is C[C@@H](NCC(F)(F)c1ccccc1)c1ccccn1.
What is the InChIKey of 2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine?
The InChIKey is PPICGBCCEUUPRW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-12(14-9-5-6-10-18-14)19-11-15(16,17)13-7-3-2-4-8-13/h2-10,12,19H,11H2,1H3/t12-/m1/s1.
What are the key properties of 2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine?
2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine has a molecular weight of 262.30 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine is sourced from PubChem (CID 104893387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).