2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol

C20H19Cl2NO2 — CID 2951430

IUPAC2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol
SMILESOCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12
InChIInChI=1S/C20H19Cl2NO2/c21-16-7-5-15(19(22)11-16)13-25-20-8-6-14-3-1-2-4-17(14)18(20)12-23-9-10-24/h1-8,11,23-24H,9-10,12-13H2
InChIKeyGCEIIVZUGJETEO-UHFFFAOYSA-N
MW376.28 g/mol
LogP4.81
Rot. Bonds7

About 2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol

2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol (PubChem CID 2951430) has the molecular formula C20H19Cl2NO2 and a molecular weight of 376.28 g/mol. Its IUPAC name is 2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol
PubChem CID2951430
Molecular FormulaC20H19Cl2NO2
Molecular Weight376.28 g/mol
Exact Mass375.08
IUPAC Name2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol
SMILESOCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12
InChIInChI=1S/C20H19Cl2NO2/c21-16-7-5-15(19(22)11-16)13-25-20-8-6-14-3-1-2-4-17(14)18(20)12-23-9-10-24/h1-8,11,23-24H,9-10,12-13H2
InChIKeyGCEIIVZUGJETEO-UHFFFAOYSA-N
XLogP4.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol?
The IUPAC name of 2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol (CID 2951430) is 2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol?
The canonical SMILES for 2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol is OCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12.
What is the InChIKey of 2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol?
The InChIKey is GCEIIVZUGJETEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO2/c21-16-7-5-15(19(22)11-16)13-25-20-8-6-14-3-1-2-4-17(14)18(20)12-23-9-10-24/h1-8,11,23-24H,9-10,12-13H2.
What are the key properties of 2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol?
2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol has a molecular weight of 376.28 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol is sourced from PubChem (CID 2951430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).