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

C22H24FN3O — CID 71627413

IUPAC6-[[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]methyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(COc2cccc(CNCCc3cccc(F)c3)c2)c1
InChIInChI=1S/C22H24FN3O/c1-16-10-20(26-22(24)11-16)15-27-21-7-3-5-18(13-21)14-25-9-8-17-4-2-6-19(23)12-17/h2-7,10-13,25H,8-9,14-15H2,1H3,(H2,24,26)
InChIKeyDDZKIKXHCIUETL-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.02
Rot. Bonds8

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

6-[[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]methyl]-4-methylpyridin-2-amine (PubChem CID 71627413) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 6-[[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]methyl]-4-methylpyridin-2-amine
PubChem CID71627413
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name6-[[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]methyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(COc2cccc(CNCCc3cccc(F)c3)c2)c1
InChIInChI=1S/C22H24FN3O/c1-16-10-20(26-22(24)11-16)15-27-21-7-3-5-18(13-21)14-25-9-8-17-4-2-6-19(23)12-17/h2-7,10-13,25H,8-9,14-15H2,1H3,(H2,24,26)
InChIKeyDDZKIKXHCIUETL-UHFFFAOYSA-N
XLogP4.02
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]methyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]methyl]-4-methylpyridin-2-amine (CID 71627413) is 6-[[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]methyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(COc2cccc(CNCCc3cccc(F)c3)c2)c1.
What is the InChIKey of 6-[[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]methyl]-4-methylpyridin-2-amine?
The InChIKey is DDZKIKXHCIUETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-16-10-20(26-22(24)11-16)15-27-21-7-3-5-18(13-21)14-25-9-8-17-4-2-6-19(23)12-17/h2-7,10-13,25H,8-9,14-15H2,1H3,(H2,24,26).
What are the key properties of 6-[[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]methyl]-4-methylpyridin-2-amine?
6-[[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]methyl]-4-methylpyridin-2-amine has a molecular weight of 365.45 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 71627413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).