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

C22H26Cl4N2O2 — CID 17294818

IUPAC2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12
InChIInChI=1S/C22H24Cl2N2O2.2ClH/c23-18-7-5-17(21(24)13-18)15-28-22-8-6-16-3-1-2-4-19(16)20(22)14-26-10-9-25-11-12-27;;/h1-8,13,25-27H,9-12,14-15H2;2*1H
InChIKeyWXGQTMUWGNWASO-UHFFFAOYSA-N
MW492.27 g/mol
LogP5.24
Rot. Bonds10

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

2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride (PubChem CID 17294818) has the molecular formula C22H26Cl4N2O2 and a molecular weight of 492.27 g/mol. Its IUPAC name is 2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride
PubChem CID17294818
Molecular FormulaC22H26Cl4N2O2
Molecular Weight492.27 g/mol
Exact Mass490.07
IUPAC Name2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12
InChIInChI=1S/C22H24Cl2N2O2.2ClH/c23-18-7-5-17(21(24)13-18)15-28-22-8-6-16-3-1-2-4-19(16)20(22)14-26-10-9-25-11-12-27;;/h1-8,13,25-27H,9-12,14-15H2;2*1H
InChIKeyWXGQTMUWGNWASO-UHFFFAOYSA-N
XLogP5.24
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.27
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propylamino]ethanol
CID 17214071
5-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]pentan-1-ol;hydrochloride
CID 17211551
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 17294824
2-[2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294792
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294819
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209602
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
CID 17291175
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 17208850
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526326
2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride
CID 17209736
2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155181
4-amino-N-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 4718297

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride (CID 17294818) is 2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride is Cl.Cl.OCCNCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12.
What is the InChIKey of 2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride?
The InChIKey is WXGQTMUWGNWASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O2.2ClH/c23-18-7-5-17(21(24)13-18)15-28-22-8-6-16-3-1-2-4-19(16)20(22)14-26-10-9-25-11-12-27;;/h1-8,13,25-27H,9-12,14-15H2;2*1H.
What are the key properties of 2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride?
2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride has a molecular weight of 492.27 g/mol, XLogP of 5.24, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride is sourced from PubChem (CID 17294818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).