2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride

C18H21Cl4NO3 — CID 17155291

IUPAC2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
SMILESCl.OCCOCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H20Cl3NO3.ClH/c19-15-3-4-18(14(9-15)11-22-5-7-24-8-6-23)25-12-13-1-2-16(20)10-17(13)21;/h1-4,9-10,22-23H,5-8,11-12H2;1H
InChIKeyXOLRGPKMJPPCOI-UHFFFAOYSA-N
MW441.18 g/mol
LogP4.75
Rot. Bonds10

About 2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride

2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride (PubChem CID 17155291) has the molecular formula C18H21Cl4NO3 and a molecular weight of 441.18 g/mol. Its IUPAC name is 2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
PubChem CID17155291
Molecular FormulaC18H21Cl4NO3
Molecular Weight441.18 g/mol
Exact Mass439.03
IUPAC Name2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
SMILESCl.OCCOCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H20Cl3NO3.ClH/c19-15-3-4-18(14(9-15)11-22-5-7-24-8-6-23)25-12-13-1-2-16(20)10-17(13)21;/h1-4,9-10,22-23H,5-8,11-12H2;1H
InChIKeyXOLRGPKMJPPCOI-UHFFFAOYSA-N
XLogP4.75
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.18
LogP ≤ 54.75
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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Related Compounds

2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155290
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine
CID 4715702
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4716843
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-butoxypropan-1-amine;hydrochloride
CID 17207664
2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol
CID 81496345
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-butoxypropan-1-amine
CID 17207665
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17289160
2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol
CID 106862592
2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol
CID 60689345
2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457819
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290924
2-[2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155250

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride?
The IUPAC name of 2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride (CID 17155291) is 2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride?
The canonical SMILES for 2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride is Cl.OCCOCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride?
The InChIKey is XOLRGPKMJPPCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl3NO3.ClH/c19-15-3-4-18(14(9-15)11-22-5-7-24-8-6-23)25-12-13-1-2-16(20)10-17(13)21;/h1-4,9-10,22-23H,5-8,11-12H2;1H.
What are the key properties of 2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride?
2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride has a molecular weight of 441.18 g/mol, XLogP of 4.75, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride is sourced from PubChem (CID 17155291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).