2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol

C18H21Cl2NO3 — CID 17155290

IUPAC2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1cc(Cl)ccc1OCc1ccccc1Cl
InChIInChI=1S/C18H21Cl2NO3/c19-16-5-6-18(24-13-14-3-1-2-4-17(14)20)15(11-16)12-21-7-9-23-10-8-22/h1-6,11,21-22H,7-10,12-13H2
InChIKeyOVBMXVXRKARWEP-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.67
Rot. Bonds10

About 2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol

2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol (PubChem CID 17155290) has the molecular formula C18H21Cl2NO3 and a molecular weight of 370.28 g/mol. Its IUPAC name is 2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
PubChem CID17155290
Molecular FormulaC18H21Cl2NO3
Molecular Weight370.28 g/mol
Exact Mass369.09
IUPAC Name2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1cc(Cl)ccc1OCc1ccccc1Cl
InChIInChI=1S/C18H21Cl2NO3/c19-16-5-6-18(24-13-14-3-1-2-4-17(14)20)15(11-16)12-21-7-9-23-10-8-22/h1-6,11,21-22H,7-10,12-13H2
InChIKeyOVBMXVXRKARWEP-UHFFFAOYSA-N
XLogP3.67
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.67
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-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155291
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine
CID 4715702
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290924
2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155181
1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295476
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17293135
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride
CID 17291027
2-[2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155250
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207299
2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155147
2-[2-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol
CID 4720990
2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol
CID 103992721

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol (CID 17155290) is 2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol is OCCOCCNCc1cc(Cl)ccc1OCc1ccccc1Cl.
What is the InChIKey of 2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol?
The InChIKey is OVBMXVXRKARWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO3/c19-16-5-6-18(24-13-14-3-1-2-4-17(14)20)15(11-16)12-21-7-9-23-10-8-22/h1-6,11,21-22H,7-10,12-13H2.
What are the key properties of 2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol?
2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol has a molecular weight of 370.28 g/mol, XLogP of 3.67, 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-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol is sourced from PubChem (CID 17155290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).