2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol

C23H24N2O3 — CID 164624851

IUPAC2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol
SMILESCc1c(-c2ccc3c(c2)OCCO3)cccc1-c1ccc(CNCCO)cn1
InChIInChI=1S/C23H24N2O3/c1-16-19(18-6-8-22-23(13-18)28-12-11-27-22)3-2-4-20(16)21-7-5-17(15-25-21)14-24-9-10-26/h2-8,13,15,24,26H,9-12,14H2,1H3
InChIKeyCUITYAXSUPCGIM-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.58
Rot. Bonds6

About 2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol

2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol (PubChem CID 164624851) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol
PubChem CID164624851
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol
SMILESCc1c(-c2ccc3c(c2)OCCO3)cccc1-c1ccc(CNCCO)cn1
InChIInChI=1S/C23H24N2O3/c1-16-19(18-6-8-22-23(13-18)28-12-11-27-22)3-2-4-20(16)21-7-5-17(15-25-21)14-24-9-10-26/h2-8,13,15,24,26H,9-12,14H2,1H3
InChIKeyCUITYAXSUPCGIM-UHFFFAOYSA-N
XLogP3.58
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol?
The IUPAC name of 2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol (CID 164624851) is 2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol.
What is the SMILES notation for 2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol?
The canonical SMILES for 2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol is Cc1c(-c2ccc3c(c2)OCCO3)cccc1-c1ccc(CNCCO)cn1.
What is the InChIKey of 2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol?
The InChIKey is CUITYAXSUPCGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16-19(18-6-8-22-23(13-18)28-12-11-27-22)3-2-4-20(16)21-7-5-17(15-25-21)14-24-9-10-26/h2-8,13,15,24,26H,9-12,14H2,1H3.
What are the key properties of 2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol?
2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol has a molecular weight of 376.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol is sourced from PubChem (CID 164624851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).