5-(1,1-difluoroethyl)-N-methyl-6-phenylpyridin-2-amine;2-methylpropane

C18H24F2N2 — CID 143772320

IUPAC5-(1,1-difluoroethyl)-N-methyl-6-phenylpyridin-2-amine;2-methylpropane
SMILESCC(C)C.CNc1ccc(C(C)(F)F)c(-c2ccccc2)n1
InChIInChI=1S/C14H14F2N2.C4H10/c1-14(15,16)11-8-9-12(17-2)18-13(11)10-6-4-3-5-7-10;1-4(2)3/h3-9H,1-2H3,(H,17,18);4H,1-3H3
InChIKeyDKZRZOAVDMFHLT-UHFFFAOYSA-N
MW306.40 g/mol
LogP5.56
Rot. Bonds3

About 5-(1,1-difluoroethyl)-N-methyl-6-phenylpyridin-2-amine;2-methylpropane

5-(1,1-difluoroethyl)-N-methyl-6-phenylpyridin-2-amine;2-methylpropane (PubChem CID 143772320) has the molecular formula C18H24F2N2 and a molecular weight of 306.40 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-N-methyl-6-phenylpyridin-2-amine;2-methylpropane.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-N-methyl-6-phenylpyridin-2-amine;2-methylpropane
PubChem CID143772320
Molecular FormulaC18H24F2N2
Molecular Weight306.40 g/mol
Exact Mass306.19
IUPAC Name5-(1,1-difluoroethyl)-N-methyl-6-phenylpyridin-2-amine;2-methylpropane
SMILESCC(C)C.CNc1ccc(C(C)(F)F)c(-c2ccccc2)n1
InChIInChI=1S/C14H14F2N2.C4H10/c1-14(15,16)11-8-9-12(17-2)18-13(11)10-6-4-3-5-7-10;1-4(2)3/h3-9H,1-2H3,(H,17,18);4H,1-3H3
InChIKeyDKZRZOAVDMFHLT-UHFFFAOYSA-N
XLogP5.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.40
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-N-methyl-6-phenylpyridin-2-amine;2-methylpropane?
The IUPAC name of 5-(1,1-difluoroethyl)-N-methyl-6-phenylpyridin-2-amine;2-methylpropane (CID 143772320) is 5-(1,1-difluoroethyl)-N-methyl-6-phenylpyridin-2-amine;2-methylpropane.
What is the SMILES notation for 5-(1,1-difluoroethyl)-N-methyl-6-phenylpyridin-2-amine;2-methylpropane?
The canonical SMILES for 5-(1,1-difluoroethyl)-N-methyl-6-phenylpyridin-2-amine;2-methylpropane is CC(C)C.CNc1ccc(C(C)(F)F)c(-c2ccccc2)n1.
What is the InChIKey of 5-(1,1-difluoroethyl)-N-methyl-6-phenylpyridin-2-amine;2-methylpropane?
The InChIKey is DKZRZOAVDMFHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2.C4H10/c1-14(15,16)11-8-9-12(17-2)18-13(11)10-6-4-3-5-7-10;1-4(2)3/h3-9H,1-2H3,(H,17,18);4H,1-3H3.
What are the key properties of 5-(1,1-difluoroethyl)-N-methyl-6-phenylpyridin-2-amine;2-methylpropane?
5-(1,1-difluoroethyl)-N-methyl-6-phenylpyridin-2-amine;2-methylpropane has a molecular weight of 306.40 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-N-methyl-6-phenylpyridin-2-amine;2-methylpropane is sourced from PubChem (CID 143772320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).