2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol

C11H15BrClNO2 — CID 81496345

IUPAC2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1ccc(Cl)cc1Br
InChIInChI=1S/C11H15BrClNO2/c12-11-7-10(13)2-1-9(11)8-14-3-5-16-6-4-15/h1-2,7,14-15H,3-6,8H2
InChIKeyRFIDPMJZBGZFOT-UHFFFAOYSA-N
MW308.60 g/mol
LogP2.20
Rot. Bonds7

About 2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol

2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol (PubChem CID 81496345) has the molecular formula C11H15BrClNO2 and a molecular weight of 308.60 g/mol. Its IUPAC name is 2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol
PubChem CID81496345
Molecular FormulaC11H15BrClNO2
Molecular Weight308.60 g/mol
Exact Mass307.00
IUPAC Name2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1ccc(Cl)cc1Br
InChIInChI=1S/C11H15BrClNO2/c12-11-7-10(13)2-1-9(11)8-14-3-5-16-6-4-15/h1-2,7,14-15H,3-6,8H2
InChIKeyRFIDPMJZBGZFOT-UHFFFAOYSA-N
XLogP2.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.60
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol
CID 103924152
N'-[(2-bromo-4-chlorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107987659
2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol
CID 106862592
2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol
CID 60689345
2-[3-[(2-bromo-4-fluorophenyl)methylamino]propoxy]ethanol
CID 103992524
2-[3-[(2-bromo-4-methylphenyl)methylamino]propoxy]ethanol
CID 103992462
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155291
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethoxy]ethanol
CID 43220975
N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 81495683
N-[(2-bromo-4-chlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115742344
2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol
CID 66535164

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol (CID 81496345) is 2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol is OCCOCCNCc1ccc(Cl)cc1Br.
What is the InChIKey of 2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol?
The InChIKey is RFIDPMJZBGZFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2/c12-11-7-10(13)2-1-9(11)8-14-3-5-16-6-4-15/h1-2,7,14-15H,3-6,8H2.
What are the key properties of 2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol?
2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol has a molecular weight of 308.60 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 81496345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).