N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine

C19H23FN2 — CID 54591864

IUPACN-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine
SMILESCC(C)=Cc1cccc(NCC(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C19H23FN2/c1-14(2)12-17-6-5-7-18(22-17)21-13-19(3,4)15-8-10-16(20)11-9-15/h5-12H,13H2,1-4H3,(H,21,22)
InChIKeyBLOCPIAMIDWYOY-UHFFFAOYSA-N
MW298.41 g/mol
LogP5.03
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine

N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine (PubChem CID 54591864) has the molecular formula C19H23FN2 and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine
PubChem CID54591864
Molecular FormulaC19H23FN2
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC NameN-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine
SMILESCC(C)=Cc1cccc(NCC(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C19H23FN2/c1-14(2)12-17-6-5-7-18(22-17)21-13-19(3,4)15-8-10-16(20)11-9-15/h5-12H,13H2,1-4H3,(H,21,22)
InChIKeyBLOCPIAMIDWYOY-UHFFFAOYSA-N
XLogP5.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.41
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine (CID 54591864) is N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine is CC(C)=Cc1cccc(NCC(C)(C)c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine?
The InChIKey is BLOCPIAMIDWYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2/c1-14(2)12-17-6-5-7-18(22-17)21-13-19(3,4)15-8-10-16(20)11-9-15/h5-12H,13H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine?
N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine has a molecular weight of 298.41 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine is sourced from PubChem (CID 54591864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).