N-[(3,4-difluorophenyl)methyl]-2-(4-fluorophenyl)-3,4-dihydropyridin-3-amine

C18H15F3N2 — CID 68950058

IUPACN-[(3,4-difluorophenyl)methyl]-2-(4-fluorophenyl)-3,4-dihydropyridin-3-amine
SMILESFc1ccc(C2=NC=CCC2NCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H15F3N2/c19-14-6-4-13(5-7-14)18-17(2-1-9-22-18)23-11-12-3-8-15(20)16(21)10-12/h1,3-10,17,23H,2,11H2
InChIKeyIOLGVJJMGQMEHS-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.97
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-2-(4-fluorophenyl)-3,4-dihydropyridin-3-amine

N-[(3,4-difluorophenyl)methyl]-2-(4-fluorophenyl)-3,4-dihydropyridin-3-amine (PubChem CID 68950058) has the molecular formula C18H15F3N2 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-(4-fluorophenyl)-3,4-dihydropyridin-3-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-(4-fluorophenyl)-3,4-dihydropyridin-3-amine
PubChem CID68950058
Molecular FormulaC18H15F3N2
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-(4-fluorophenyl)-3,4-dihydropyridin-3-amine
SMILESFc1ccc(C2=NC=CCC2NCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H15F3N2/c19-14-6-4-13(5-7-14)18-17(2-1-9-22-18)23-11-12-3-8-15(20)16(21)10-12/h1,3-10,17,23H,2,11H2
InChIKeyIOLGVJJMGQMEHS-UHFFFAOYSA-N
XLogP3.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-(4-fluorophenyl)-3,4-dihydropyridin-3-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-(4-fluorophenyl)-3,4-dihydropyridin-3-amine (CID 68950058) is N-[(3,4-difluorophenyl)methyl]-2-(4-fluorophenyl)-3,4-dihydropyridin-3-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-(4-fluorophenyl)-3,4-dihydropyridin-3-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-(4-fluorophenyl)-3,4-dihydropyridin-3-amine is Fc1ccc(C2=NC=CCC2NCc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-(4-fluorophenyl)-3,4-dihydropyridin-3-amine?
The InChIKey is IOLGVJJMGQMEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2/c19-14-6-4-13(5-7-14)18-17(2-1-9-22-18)23-11-12-3-8-15(20)16(21)10-12/h1,3-10,17,23H,2,11H2.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-(4-fluorophenyl)-3,4-dihydropyridin-3-amine?
N-[(3,4-difluorophenyl)methyl]-2-(4-fluorophenyl)-3,4-dihydropyridin-3-amine has a molecular weight of 316.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-(4-fluorophenyl)-3,4-dihydropyridin-3-amine is sourced from PubChem (CID 68950058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).