2-[3-methoxypropyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol

C23H27N3O2 — CID 11567022

IUPAC2-[3-methoxypropyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol
SMILESCOCCCN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H27N3O2/c1-26(15-8-16-28-2)22(19-9-4-3-5-10-19)23(27,20-11-6-13-24-17-20)21-12-7-14-25-18-21/h3-7,9-14,17-18,22,27H,8,15-16H2,1-2H3
InChIKeyFWEPGNKEKKOWQR-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.42
Rot. Bonds9

About 2-[3-methoxypropyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol

2-[3-methoxypropyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol (PubChem CID 11567022) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[3-methoxypropyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol.

Molecular Properties

Compound Name2-[3-methoxypropyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol
PubChem CID11567022
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[3-methoxypropyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol
SMILESCOCCCN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H27N3O2/c1-26(15-8-16-28-2)22(19-9-4-3-5-10-19)23(27,20-11-6-13-24-17-20)21-12-7-14-25-18-21/h3-7,9-14,17-18,22,27H,8,15-16H2,1-2H3
InChIKeyFWEPGNKEKKOWQR-UHFFFAOYSA-N
XLogP3.42
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
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-[3-methoxypropyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol?
The IUPAC name of 2-[3-methoxypropyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol (CID 11567022) is 2-[3-methoxypropyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol.
What is the SMILES notation for 2-[3-methoxypropyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol?
The canonical SMILES for 2-[3-methoxypropyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol is COCCCN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of 2-[3-methoxypropyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol?
The InChIKey is FWEPGNKEKKOWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-26(15-8-16-28-2)22(19-9-4-3-5-10-19)23(27,20-11-6-13-24-17-20)21-12-7-14-25-18-21/h3-7,9-14,17-18,22,27H,8,15-16H2,1-2H3.
What are the key properties of 2-[3-methoxypropyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol?
2-[3-methoxypropyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol has a molecular weight of 377.49 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxypropyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol is sourced from PubChem (CID 11567022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).