2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol

C15H15BrClNO2 — CID 61049903

IUPAC2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol
SMILESCOc1ccc(C(CO)Nc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C15H15BrClNO2/c1-20-15-7-2-10(8-13(15)16)14(9-19)18-12-5-3-11(17)4-6-12/h2-8,14,18-19H,9H2,1H3
InChIKeyBSGWTMPFVXVCLJ-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.26
Rot. Bonds5

About 2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol

2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol (PubChem CID 61049903) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol
PubChem CID61049903
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol
SMILESCOc1ccc(C(CO)Nc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C15H15BrClNO2/c1-20-15-7-2-10(8-13(15)16)14(9-19)18-12-5-3-11(17)4-6-12/h2-8,14,18-19H,9H2,1H3
InChIKeyBSGWTMPFVXVCLJ-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-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 61048471
2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol
CID 65026319
1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 43479903
2-(4-bromoanilino)-2-(3-bromo-4-fluorophenyl)ethanol
CID 61049859
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol
CID 65026318
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol
CID 83230067
1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43479980
3-(4-bromophenyl)-3-(4-chloroanilino)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 132591765
4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693464
(1S)-1-(3-bromo-4-methoxyphenyl)ethane-1,2-diol
CID 11390954
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-chloro-4-fluoroaniline
CID 43772388
2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol
CID 66156093

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol (CID 61049903) is 2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol is COc1ccc(C(CO)Nc2ccc(Cl)cc2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol?
The InChIKey is BSGWTMPFVXVCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c1-20-15-7-2-10(8-13(15)16)14(9-19)18-12-5-3-11(17)4-6-12/h2-8,14,18-19H,9H2,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol?
2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)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-methoxyphenyl)-2-(4-chloroanilino)ethanol is sourced from PubChem (CID 61049903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).