2-[[2-methoxy-6-[3-(3-methoxyphenyl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol

C23H26N2O3 — CID 166626967

IUPAC2-[[2-methoxy-6-[3-(3-methoxyphenyl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol
SMILESCOc1cccc(-c2cccc(-c3ccc(CNCCO)c(OC)n3)c2C)c1
InChIInChI=1S/C23H26N2O3/c1-16-20(17-6-4-7-19(14-17)27-2)8-5-9-21(16)22-11-10-18(15-24-12-13-26)23(25-22)28-3/h4-11,14,24,26H,12-13,15H2,1-3H3
InChIKeyUGWXAAXHNQTDBD-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.82
Rot. Bonds8

About 2-[[2-methoxy-6-[3-(3-methoxyphenyl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol

2-[[2-methoxy-6-[3-(3-methoxyphenyl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol (PubChem CID 166626967) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[[2-methoxy-6-[3-(3-methoxyphenyl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-methoxy-6-[3-(3-methoxyphenyl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol
PubChem CID166626967
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-[[2-methoxy-6-[3-(3-methoxyphenyl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol
SMILESCOc1cccc(-c2cccc(-c3ccc(CNCCO)c(OC)n3)c2C)c1
InChIInChI=1S/C23H26N2O3/c1-16-20(17-6-4-7-19(14-17)27-2)8-5-9-21(16)22-11-10-18(15-24-12-13-26)23(25-22)28-3/h4-11,14,24,26H,12-13,15H2,1-3H3
InChIKeyUGWXAAXHNQTDBD-UHFFFAOYSA-N
XLogP3.82
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.82
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 2-[[2-methoxy-6-[3-(3-methoxyphenyl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol?
The IUPAC name of 2-[[2-methoxy-6-[3-(3-methoxyphenyl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol (CID 166626967) is 2-[[2-methoxy-6-[3-(3-methoxyphenyl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol.
What is the SMILES notation for 2-[[2-methoxy-6-[3-(3-methoxyphenyl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol?
The canonical SMILES for 2-[[2-methoxy-6-[3-(3-methoxyphenyl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol is COc1cccc(-c2cccc(-c3ccc(CNCCO)c(OC)n3)c2C)c1.
What is the InChIKey of 2-[[2-methoxy-6-[3-(3-methoxyphenyl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol?
The InChIKey is UGWXAAXHNQTDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16-20(17-6-4-7-19(14-17)27-2)8-5-9-21(16)22-11-10-18(15-24-12-13-26)23(25-22)28-3/h4-11,14,24,26H,12-13,15H2,1-3H3.
What are the key properties of 2-[[2-methoxy-6-[3-(3-methoxyphenyl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol?
2-[[2-methoxy-6-[3-(3-methoxyphenyl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol has a molecular weight of 378.47 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-6-[3-(3-methoxyphenyl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol is sourced from PubChem (CID 166626967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).