N-[1-[2-(difluoromethyl)-3-pyridinyl]ethenyl]-1,1-dimethyl-2,3-dihydroinden-4-amine

C19H20F2N2 — CID 146384782

IUPACN-[1-[2-(difluoromethyl)-3-pyridinyl]ethenyl]-1,1-dimethyl-2,3-dihydroinden-4-amine
SMILESC=C(Nc1cccc2c1CCC2(C)C)c1cccnc1C(F)F
InChIInChI=1S/C19H20F2N2/c1-12(13-6-5-11-22-17(13)18(20)21)23-16-8-4-7-15-14(16)9-10-19(15,2)3/h4-8,11,18,23H,1,9-10H2,2-3H3
InChIKeyXIFSPJUIYZLABD-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.33
Rot. Bonds4

About N-[1-[2-(difluoromethyl)-3-pyridinyl]ethenyl]-1,1-dimethyl-2,3-dihydroinden-4-amine

N-[1-[2-(difluoromethyl)-3-pyridinyl]ethenyl]-1,1-dimethyl-2,3-dihydroinden-4-amine (PubChem CID 146384782) has the molecular formula C19H20F2N2 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[1-[2-(difluoromethyl)-3-pyridinyl]ethenyl]-1,1-dimethyl-2,3-dihydroinden-4-amine.

Molecular Properties

Compound NameN-[1-[2-(difluoromethyl)-3-pyridinyl]ethenyl]-1,1-dimethyl-2,3-dihydroinden-4-amine
PubChem CID146384782
Molecular FormulaC19H20F2N2
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[1-[2-(difluoromethyl)-3-pyridinyl]ethenyl]-1,1-dimethyl-2,3-dihydroinden-4-amine
SMILESC=C(Nc1cccc2c1CCC2(C)C)c1cccnc1C(F)F
InChIInChI=1S/C19H20F2N2/c1-12(13-6-5-11-22-17(13)18(20)21)23-16-8-4-7-15-14(16)9-10-19(15,2)3/h4-8,11,18,23H,1,9-10H2,2-3H3
InChIKeyXIFSPJUIYZLABD-UHFFFAOYSA-N
XLogP5.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethyl)-3-pyridinyl]ethenyl]-1,1-dimethyl-2,3-dihydroinden-4-amine?
The IUPAC name of N-[1-[2-(difluoromethyl)-3-pyridinyl]ethenyl]-1,1-dimethyl-2,3-dihydroinden-4-amine (CID 146384782) is N-[1-[2-(difluoromethyl)-3-pyridinyl]ethenyl]-1,1-dimethyl-2,3-dihydroinden-4-amine.
What is the SMILES notation for N-[1-[2-(difluoromethyl)-3-pyridinyl]ethenyl]-1,1-dimethyl-2,3-dihydroinden-4-amine?
The canonical SMILES for N-[1-[2-(difluoromethyl)-3-pyridinyl]ethenyl]-1,1-dimethyl-2,3-dihydroinden-4-amine is C=C(Nc1cccc2c1CCC2(C)C)c1cccnc1C(F)F.
What is the InChIKey of N-[1-[2-(difluoromethyl)-3-pyridinyl]ethenyl]-1,1-dimethyl-2,3-dihydroinden-4-amine?
The InChIKey is XIFSPJUIYZLABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2/c1-12(13-6-5-11-22-17(13)18(20)21)23-16-8-4-7-15-14(16)9-10-19(15,2)3/h4-8,11,18,23H,1,9-10H2,2-3H3.
What are the key properties of N-[1-[2-(difluoromethyl)-3-pyridinyl]ethenyl]-1,1-dimethyl-2,3-dihydroinden-4-amine?
N-[1-[2-(difluoromethyl)-3-pyridinyl]ethenyl]-1,1-dimethyl-2,3-dihydroinden-4-amine has a molecular weight of 314.38 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethyl)-3-pyridinyl]ethenyl]-1,1-dimethyl-2,3-dihydroinden-4-amine is sourced from PubChem (CID 146384782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).