6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]-4-methylpyridin-2-amine

C21H22FN3 — CID 91809472

IUPAC6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(-c2ccc(CNCCc3cccc(F)c3)cc2)c1
InChIInChI=1S/C21H22FN3/c1-15-11-20(25-21(23)12-15)18-7-5-17(6-8-18)14-24-10-9-16-3-2-4-19(22)13-16/h2-8,11-13,24H,9-10,14H2,1H3,(H2,23,25)
InChIKeyYIRCIVHQWVHKOD-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.11
Rot. Bonds6

About 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]-4-methylpyridin-2-amine

6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]-4-methylpyridin-2-amine (PubChem CID 91809472) has the molecular formula C21H22FN3 and a molecular weight of 335.43 g/mol. Its IUPAC name is 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]-4-methylpyridin-2-amine
PubChem CID91809472
Molecular FormulaC21H22FN3
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC Name6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(-c2ccc(CNCCc3cccc(F)c3)cc2)c1
InChIInChI=1S/C21H22FN3/c1-15-11-20(25-21(23)12-15)18-7-5-17(6-8-18)14-24-10-9-16-3-2-4-19(22)13-16/h2-8,11-13,24H,9-10,14H2,1H3,(H2,23,25)
InChIKeyYIRCIVHQWVHKOD-UHFFFAOYSA-N
XLogP4.11
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]-4-methylpyridin-2-amine (CID 91809472) is 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(-c2ccc(CNCCc3cccc(F)c3)cc2)c1.
What is the InChIKey of 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]-4-methylpyridin-2-amine?
The InChIKey is YIRCIVHQWVHKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3/c1-15-11-20(25-21(23)12-15)18-7-5-17(6-8-18)14-24-10-9-16-3-2-4-19(22)13-16/h2-8,11-13,24H,9-10,14H2,1H3,(H2,23,25).
What are the key properties of 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]-4-methylpyridin-2-amine?
6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]-4-methylpyridin-2-amine has a molecular weight of 335.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 91809472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).