2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol

C15H15BrClNO2 — CID 83230067

IUPAC2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol
SMILESCOc1ccccc1NC(CO)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H15BrClNO2/c1-20-15-5-3-2-4-13(15)18-14(9-19)10-6-7-12(17)11(16)8-10/h2-8,14,18-19H,9H2,1H3
InChIKeyPRHBOFJZUBJEQP-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.26
Rot. Bonds5

About 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol

2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol (PubChem CID 83230067) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol
PubChem CID83230067
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol
SMILESCOc1ccccc1NC(CO)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H15BrClNO2/c1-20-15-5-3-2-4-13(15)18-14(9-19)10-6-7-12(17)11(16)8-10/h2-8,14,18-19H,9H2,1H3
InChIKeyPRHBOFJZUBJEQP-UHFFFAOYSA-N
XLogP4.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol
CID 114454325
2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethanol
CID 115563179
2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol
CID 61049903
2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol
CID 113298240
N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline
CID 43109420
5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol
CID 61047518
N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43100398
(3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 116809848
2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 61048471
1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 65383369
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol
CID 106818134
1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 83230125

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol (CID 83230067) is 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol is COc1ccccc1NC(CO)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol?
The InChIKey is PRHBOFJZUBJEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c1-20-15-5-3-2-4-13(15)18-14(9-19)10-6-7-12(17)11(16)8-10/h2-8,14,18-19H,9H2,1H3.
What are the key properties of 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol?
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol has a molecular weight of 356.65 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol is sourced from PubChem (CID 83230067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).