2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol

C15H15Br2NO2 — CID 81134139

IUPAC2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNc2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H15Br2NO2/c1-20-12-4-2-3-10(7-12)15(19)9-18-14-8-11(16)5-6-13(14)17/h2-8,15,18-19H,9H2,1H3
InChIKeySNKROLJLMABUEK-UHFFFAOYSA-N
MW401.10 g/mol
LogP4.37
Rot. Bonds5

About 2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol

2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol (PubChem CID 81134139) has the molecular formula C15H15Br2NO2 and a molecular weight of 401.10 g/mol. Its IUPAC name is 2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol
PubChem CID81134139
Molecular FormulaC15H15Br2NO2
Molecular Weight401.10 g/mol
Exact Mass398.95
IUPAC Name2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNc2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H15Br2NO2/c1-20-12-4-2-3-10(7-12)15(19)9-18-14-8-11(16)5-6-13(14)17/h2-8,15,18-19H,9H2,1H3
InChIKeySNKROLJLMABUEK-UHFFFAOYSA-N
XLogP4.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 81135103
1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol
CID 62871336
2-(3-bromo-5-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 107583297
2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol
CID 107635976
2-(2-bromo-5-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 107635978
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863
(2,5-dibromophenyl)-(3-methoxyphenyl)methanol
CID 61100755
2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134030
2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol
CID 107611576
2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134599
2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 60896340
1-(3-bromophenyl)-2-(2-methoxy-5-methylanilino)ethanol
CID 60898693

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol (CID 81134139) is 2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNc2cc(Br)ccc2Br)c1.
What is the InChIKey of 2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol?
The InChIKey is SNKROLJLMABUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2/c1-20-12-4-2-3-10(7-12)15(19)9-18-14-8-11(16)5-6-13(14)17/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol?
2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol has a molecular weight of 401.10 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81134139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).