2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethanol

C22H24N2O2 — CID 155925913

IUPAC2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethanol
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCO
InChIInChI=1S/C22H24N2O2/c1-16-19(17-7-4-3-5-8-17)9-6-10-20(16)21-12-11-18(15-23-13-14-25)22(24-21)26-2/h3-12,23,25H,13-15H2,1-2H3
InChIKeyANLIWBJMRQBWBM-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.81
Rot. Bonds7

About 2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethanol

2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethanol (PubChem CID 155925913) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethanol
PubChem CID155925913
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethanol
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCO
InChIInChI=1S/C22H24N2O2/c1-16-19(17-7-4-3-5-8-17)9-6-10-20(16)21-12-11-18(15-23-13-14-25)22(24-21)26-2/h3-12,23,25H,13-15H2,1-2H3
InChIKeyANLIWBJMRQBWBM-UHFFFAOYSA-N
XLogP3.81
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.81
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 2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethanol?
The IUPAC name of 2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethanol (CID 155925913) is 2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethanol.
What is the SMILES notation for 2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethanol?
The canonical SMILES for 2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethanol is COc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCO.
What is the InChIKey of 2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethanol?
The InChIKey is ANLIWBJMRQBWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-19(17-7-4-3-5-8-17)9-6-10-20(16)21-12-11-18(15-23-13-14-25)22(24-21)26-2/h3-12,23,25H,13-15H2,1-2H3.
What are the key properties of 2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethanol?
2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethanol has a molecular weight of 348.45 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethanol is sourced from PubChem (CID 155925913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).