2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol

C14H12BrCl2NO — CID 61049669

IUPAC2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol
SMILESOCC(Nc1cccc(Br)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H12BrCl2NO/c15-9-3-1-4-10(7-9)18-13(8-19)14-11(16)5-2-6-12(14)17/h1-7,13,18-19H,8H2
InChIKeyCGHJQZVVBUDSGN-UHFFFAOYSA-N
MW361.07 g/mol
LogP4.90
Rot. Bonds4

About 2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol

2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol (PubChem CID 61049669) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol
PubChem CID61049669
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol
SMILESOCC(Nc1cccc(Br)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H12BrCl2NO/c15-9-3-1-4-10(7-9)18-13(8-19)14-11(16)5-2-6-12(14)17/h1-7,13,18-19H,8H2
InChIKeyCGHJQZVVBUDSGN-UHFFFAOYSA-N
XLogP4.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol
CID 61050655
2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
CID 61050345
2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049935
2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol
CID 61048900
2-(3-bromoanilino)-2-(2-methylphenyl)ethanol
CID 61048065
2-(3-bromoanilino)-2-(4-bromo-5-methylthiophen-2-yl)ethanol
CID 102843406
4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693460
2-anilino-2-(5-bromo-2-chlorophenyl)ethanol
CID 114077180
2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid
CID 60993002
2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 61047867
2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol
CID 79979786

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol?
The IUPAC name of 2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol (CID 61049669) is 2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol?
The canonical SMILES for 2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol is OCC(Nc1cccc(Br)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol?
The InChIKey is CGHJQZVVBUDSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c15-9-3-1-4-10(7-9)18-13(8-19)14-11(16)5-2-6-12(14)17/h1-7,13,18-19H,8H2.
What are the key properties of 2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol?
2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol has a molecular weight of 361.07 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol is sourced from PubChem (CID 61049669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).