1-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-2-phenylethanamine

C18H16FN3 — CID 68934069

IUPAC1-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-2-phenylethanamine
SMILESNC(Cc1ccccc1)c1ccnc(-c2ccnc(F)c2)c1
InChIInChI=1S/C18H16FN3/c19-18-12-15(7-9-22-18)17-11-14(6-8-21-17)16(20)10-13-4-2-1-3-5-13/h1-9,11-12,16H,10,20H2
InChIKeyQMZOQJRKOIOWOA-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.53
Rot. Bonds4

About 1-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-2-phenylethanamine

1-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-2-phenylethanamine (PubChem CID 68934069) has the molecular formula C18H16FN3 and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-2-phenylethanamine.

Molecular Properties

Compound Name1-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-2-phenylethanamine
PubChem CID68934069
Molecular FormulaC18H16FN3
Molecular Weight293.35 g/mol
Exact Mass293.13
IUPAC Name1-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-2-phenylethanamine
SMILESNC(Cc1ccccc1)c1ccnc(-c2ccnc(F)c2)c1
InChIInChI=1S/C18H16FN3/c19-18-12-15(7-9-22-18)17-11-14(6-8-21-17)16(20)10-13-4-2-1-3-5-13/h1-9,11-12,16H,10,20H2
InChIKeyQMZOQJRKOIOWOA-UHFFFAOYSA-N
XLogP3.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-2-phenylethanamine?
The IUPAC name of 1-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-2-phenylethanamine (CID 68934069) is 1-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-2-phenylethanamine.
What is the SMILES notation for 1-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-2-phenylethanamine?
The canonical SMILES for 1-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-2-phenylethanamine is NC(Cc1ccccc1)c1ccnc(-c2ccnc(F)c2)c1.
What is the InChIKey of 1-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-2-phenylethanamine?
The InChIKey is QMZOQJRKOIOWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3/c19-18-12-15(7-9-22-18)17-11-14(6-8-21-17)16(20)10-13-4-2-1-3-5-13/h1-9,11-12,16H,10,20H2.
What are the key properties of 1-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-2-phenylethanamine?
1-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-2-phenylethanamine has a molecular weight of 293.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-2-phenylethanamine is sourced from PubChem (CID 68934069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).