2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride

C17H20Cl3NO3 — CID 2960435

IUPAC2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride
SMILESCOc1cc(CNCCO)cc(Cl)c1OCc1ccccc1Cl.Cl
InChIInChI=1S/C17H19Cl2NO3.ClH/c1-22-16-9-12(10-20-6-7-21)8-15(19)17(16)23-11-13-4-2-3-5-14(13)18;/h2-5,8-9,20-21H,6-7,10-11H2,1H3;1H
InChIKeyDLFUMNKPRNVHHW-UHFFFAOYSA-N
MW392.71 g/mol
LogP4.08
Rot. Bonds8

About 2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride

2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride (PubChem CID 2960435) has the molecular formula C17H20Cl3NO3 and a molecular weight of 392.71 g/mol. Its IUPAC name is 2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride
PubChem CID2960435
Molecular FormulaC17H20Cl3NO3
Molecular Weight392.71 g/mol
Exact Mass391.05
IUPAC Name2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride
SMILESCOc1cc(CNCCO)cc(Cl)c1OCc1ccccc1Cl.Cl
InChIInChI=1S/C17H19Cl2NO3.ClH/c1-22-16-9-12(10-20-6-7-21)8-15(19)17(16)23-11-13-4-2-3-5-14(13)18;/h2-5,8-9,20-21H,6-7,10-11H2,1H3;1H
InChIKeyDLFUMNKPRNVHHW-UHFFFAOYSA-N
XLogP4.08
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.71
LogP ≤ 54.08
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-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol
CID 2215596
2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2958913
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride
CID 17291020
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332494
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 17215073
2-[3-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214160
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 4723998
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 4717010
3-butoxy-N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-1-amine
CID 17207701
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 17295394
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207288
2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride
CID 17155273

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride (CID 2960435) is 2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride is COc1cc(CNCCO)cc(Cl)c1OCc1ccccc1Cl.Cl.
What is the InChIKey of 2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride?
The InChIKey is DLFUMNKPRNVHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO3.ClH/c1-22-16-9-12(10-20-6-7-21)8-15(19)17(16)23-11-13-4-2-3-5-14(13)18;/h2-5,8-9,20-21H,6-7,10-11H2,1H3;1H.
What are the key properties of 2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride?
2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride has a molecular weight of 392.71 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride is sourced from PubChem (CID 2960435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).