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

C15H15Br2NO2 — CID 61048471

IUPAC2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(CO)Nc2cccc(Br)c2)cc1Br
InChIInChI=1S/C15H15Br2NO2/c1-20-15-6-5-10(7-13(15)17)14(9-19)18-12-4-2-3-11(16)8-12/h2-8,14,18-19H,9H2,1H3
InChIKeyBHMCAHSCAMTVKW-UHFFFAOYSA-N
MW401.10 g/mol
LogP4.37
Rot. Bonds5

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

2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol (PubChem CID 61048471) has the molecular formula C15H15Br2NO2 and a molecular weight of 401.10 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol
PubChem CID61048471
Molecular FormulaC15H15Br2NO2
Molecular Weight401.10 g/mol
Exact Mass398.95
IUPAC Name2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(CO)Nc2cccc(Br)c2)cc1Br
InChIInChI=1S/C15H15Br2NO2/c1-20-15-6-5-10(7-13(15)17)14(9-19)18-12-4-2-3-11(16)8-12/h2-8,14,18-19H,9H2,1H3
InChIKeyBHMCAHSCAMTVKW-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-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol
CID 61049903
2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol
CID 62131550
2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65378731
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol
CID 65026318
4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693460
2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 61047867
2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol
CID 61048900
2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
CID 61050345
2-(3-bromoanilino)-2-(4-bromo-5-methylthiophen-2-yl)ethanol
CID 102843406
2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol
CID 79979786
1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine
CID 63509459

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol?
The IUPAC name of 2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol (CID 61048471) is 2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol is COc1ccc(C(CO)Nc2cccc(Br)c2)cc1Br.
What is the InChIKey of 2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol?
The InChIKey is BHMCAHSCAMTVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2/c1-20-15-6-5-10(7-13(15)17)14(9-19)18-12-4-2-3-11(16)8-12/h2-8,14,18-19H,9H2,1H3.
What are the key properties of 2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol?
2-(3-bromoanilino)-2-(3-bromo-4-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-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol is sourced from PubChem (CID 61048471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).