2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol

C19H23BrClNO4 — CID 66535164

IUPAC2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol
SMILESCOc1cc(CNCCOCCO)c(Br)cc1OCc1cccc(Cl)c1
InChIInChI=1S/C19H23BrClNO4/c1-24-18-10-15(12-22-5-7-25-8-6-23)17(20)11-19(18)26-13-14-3-2-4-16(21)9-14/h2-4,9-11,22-23H,5-8,12-13H2,1H3
InChIKeyDTAQMOWRXWQWPR-UHFFFAOYSA-N
MW444.75 g/mol
LogP3.79
Rot. Bonds11

About 2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol

2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol (PubChem CID 66535164) has the molecular formula C19H23BrClNO4 and a molecular weight of 444.75 g/mol. Its IUPAC name is 2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol
PubChem CID66535164
Molecular FormulaC19H23BrClNO4
Molecular Weight444.75 g/mol
Exact Mass443.05
IUPAC Name2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol
SMILESCOc1cc(CNCCOCCO)c(Br)cc1OCc1cccc(Cl)c1
InChIInChI=1S/C19H23BrClNO4/c1-24-18-10-15(12-22-5-7-25-8-6-23)17(20)11-19(18)26-13-14-3-2-4-16(21)9-14/h2-4,9-11,22-23H,5-8,12-13H2,1H3
InChIKeyDTAQMOWRXWQWPR-UHFFFAOYSA-N
XLogP3.79
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.75
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-methylbutan-1-amine
CID 66535206
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethoxy]ethanol
CID 43220975
N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]prop-2-en-1-amine
CID 66535212
2-[2-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol
CID 66534836
N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 66533485
N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-thiophen-2-ylmethanamine
CID 66535171
2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 66538313
N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,4-dichloroaniline
CID 66543369
2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol
CID 66533831
4-amino-N-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 66535235
N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 66537683
2-[2-[[2-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethoxy]ethanol
CID 66533707

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol (CID 66535164) is 2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol is COc1cc(CNCCOCCO)c(Br)cc1OCc1cccc(Cl)c1.
What is the InChIKey of 2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol?
The InChIKey is DTAQMOWRXWQWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrClNO4/c1-24-18-10-15(12-22-5-7-25-8-6-23)17(20)11-19(18)26-13-14-3-2-4-16(21)9-14/h2-4,9-11,22-23H,5-8,12-13H2,1H3.
What are the key properties of 2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol?
2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol has a molecular weight of 444.75 g/mol, XLogP of 3.79, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol is sourced from PubChem (CID 66535164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).