3-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol

C23H26N2O2 — CID 166632561

IUPAC3-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCCO
InChIInChI=1S/C23H26N2O2/c1-17-20(18-8-4-3-5-9-18)10-6-11-21(17)22-13-12-19(23(25-22)27-2)16-24-14-7-15-26/h3-6,8-13,24,26H,7,14-16H2,1-2H3
InChIKeyPRBPGGKYVDXDIK-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.20
Rot. Bonds8

About 3-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol

3-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol (PubChem CID 166632561) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol
PubChem CID166632561
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name3-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCCO
InChIInChI=1S/C23H26N2O2/c1-17-20(18-8-4-3-5-9-18)10-6-11-21(17)22-13-12-19(23(25-22)27-2)16-24-14-7-15-26/h3-6,8-13,24,26H,7,14-16H2,1-2H3
InChIKeyPRBPGGKYVDXDIK-UHFFFAOYSA-N
XLogP4.20
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.20
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 3-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol?
The IUPAC name of 3-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol (CID 166632561) is 3-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol is COc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCCO.
What is the InChIKey of 3-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol?
The InChIKey is PRBPGGKYVDXDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-17-20(18-8-4-3-5-9-18)10-6-11-21(17)22-13-12-19(23(25-22)27-2)16-24-14-7-15-26/h3-6,8-13,24,26H,7,14-16H2,1-2H3.
What are the key properties of 3-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol?
3-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol has a molecular weight of 362.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol is sourced from PubChem (CID 166632561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).