6-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-3-pyridinyl]oxymethyl]-4-methylpyridin-2-amine

C21H23FN4O — CID 71627414

IUPAC6-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-3-pyridinyl]oxymethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(COc2cncc(CNCCc3cccc(F)c3)c2)c1
InChIInChI=1S/C21H23FN4O/c1-15-7-19(26-21(23)8-15)14-27-20-10-17(12-25-13-20)11-24-6-5-16-3-2-4-18(22)9-16/h2-4,7-10,12-13,24H,5-6,11,14H2,1H3,(H2,23,26)
InChIKeyIGLNPZZNPBQOMM-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.42
Rot. Bonds8

About 6-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-3-pyridinyl]oxymethyl]-4-methylpyridin-2-amine

6-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-3-pyridinyl]oxymethyl]-4-methylpyridin-2-amine (PubChem CID 71627414) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 6-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-3-pyridinyl]oxymethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-3-pyridinyl]oxymethyl]-4-methylpyridin-2-amine
PubChem CID71627414
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name6-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-3-pyridinyl]oxymethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(COc2cncc(CNCCc3cccc(F)c3)c2)c1
InChIInChI=1S/C21H23FN4O/c1-15-7-19(26-21(23)8-15)14-27-20-10-17(12-25-13-20)11-24-6-5-16-3-2-4-18(22)9-16/h2-4,7-10,12-13,24H,5-6,11,14H2,1H3,(H2,23,26)
InChIKeyIGLNPZZNPBQOMM-UHFFFAOYSA-N
XLogP3.42
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-3-pyridinyl]oxymethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-3-pyridinyl]oxymethyl]-4-methylpyridin-2-amine (CID 71627414) is 6-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-3-pyridinyl]oxymethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-3-pyridinyl]oxymethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-3-pyridinyl]oxymethyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(COc2cncc(CNCCc3cccc(F)c3)c2)c1.
What is the InChIKey of 6-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-3-pyridinyl]oxymethyl]-4-methylpyridin-2-amine?
The InChIKey is IGLNPZZNPBQOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-15-7-19(26-21(23)8-15)14-27-20-10-17(12-25-13-20)11-24-6-5-16-3-2-4-18(22)9-16/h2-4,7-10,12-13,24H,5-6,11,14H2,1H3,(H2,23,26).
What are the key properties of 6-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-3-pyridinyl]oxymethyl]-4-methylpyridin-2-amine?
6-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-3-pyridinyl]oxymethyl]-4-methylpyridin-2-amine has a molecular weight of 366.44 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-3-pyridinyl]oxymethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 71627414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).