2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride

C22H25Cl2NO3 — CID 17155181

IUPAC2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride
SMILESCl.OCCOCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C22H24ClNO3.ClH/c23-21-8-4-2-6-18(21)16-27-22-10-9-17-5-1-3-7-19(17)20(22)15-24-11-13-26-14-12-25;/h1-10,24-25H,11-16H2;1H
InChIKeyDFJSLACPVNYJGP-UHFFFAOYSA-N
MW422.35 g/mol
LogP4.59
Rot. Bonds10

About 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride

2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride (PubChem CID 17155181) has the molecular formula C22H25Cl2NO3 and a molecular weight of 422.35 g/mol. Its IUPAC name is 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride
PubChem CID17155181
Molecular FormulaC22H25Cl2NO3
Molecular Weight422.35 g/mol
Exact Mass421.12
IUPAC Name2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride
SMILESCl.OCCOCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C22H24ClNO3.ClH/c23-21-8-4-2-6-18(21)16-27-22-10-9-17-5-1-3-7-19(17)20(22)15-24-11-13-26-14-12-25;/h1-10,24-25H,11-16H2;1H
InChIKeyDFJSLACPVNYJGP-UHFFFAOYSA-N
XLogP4.59
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.35
LogP ≤ 54.59
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-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol
CID 17155107
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4716502
2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155290
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine
CID 4722236
2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294818
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207194
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 17210034
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]-2-methoxyethanamine;hydrochloride
CID 17294824
2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155147
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine
CID 4717903
5-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]pentan-1-ol;hydrochloride
CID 17211551

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride?
The IUPAC name of 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride (CID 17155181) is 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride?
The canonical SMILES for 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride is Cl.OCCOCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12.
What is the InChIKey of 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride?
The InChIKey is DFJSLACPVNYJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO3.ClH/c23-21-8-4-2-6-18(21)16-27-22-10-9-17-5-1-3-7-19(17)20(22)15-24-11-13-26-14-12-25;/h1-10,24-25H,11-16H2;1H.
What are the key properties of 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride?
2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride has a molecular weight of 422.35 g/mol, XLogP of 4.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride is sourced from PubChem (CID 17155181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).