2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride

C18H23Cl2NO3 — CID 17155147

IUPAC2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
SMILESCl.OCCOCCNCc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C18H22ClNO3.ClH/c19-18-4-2-1-3-16(18)14-23-17-7-5-15(6-8-17)13-20-9-11-22-12-10-21;/h1-8,20-21H,9-14H2;1H
InChIKeyUVJHEGNGTJWMLU-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.44
Rot. Bonds10

About 2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride

2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride (PubChem CID 17155147) has the molecular formula C18H23Cl2NO3 and a molecular weight of 372.29 g/mol. Its IUPAC name is 2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
PubChem CID17155147
Molecular FormulaC18H23Cl2NO3
Molecular Weight372.29 g/mol
Exact Mass371.11
IUPAC Name2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
SMILESCl.OCCOCCNCc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C18H22ClNO3.ClH/c19-18-4-2-1-3-16(18)14-23-17-7-5-15(6-8-17)13-20-9-11-22-12-10-21;/h1-8,20-21H,9-14H2;1H
InChIKeyUVJHEGNGTJWMLU-UHFFFAOYSA-N
XLogP3.44
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.44
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

5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride
CID 17211517
2-[3-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol
CID 17214037
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721378
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17292552
2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155290
2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155181
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol
CID 103992721
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 6461106
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290312
2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126186662

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride?
The IUPAC name of 2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride (CID 17155147) is 2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride?
The canonical SMILES for 2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride is Cl.OCCOCCNCc1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of 2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride?
The InChIKey is UVJHEGNGTJWMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3.ClH/c19-18-4-2-1-3-16(18)14-23-17-7-5-15(6-8-17)13-20-9-11-22-12-10-21;/h1-8,20-21H,9-14H2;1H.
What are the key properties of 2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride?
2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride has a molecular weight of 372.29 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride is sourced from PubChem (CID 17155147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).