2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol

C15H13BrF3NO — CID 61047867

IUPAC2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESOCC(Nc1cccc(Br)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13BrF3NO/c16-12-2-1-3-13(8-12)20-14(9-21)10-4-6-11(7-5-10)15(17,18)19/h1-8,14,20-21H,9H2
InChIKeyDETSDEKCKWZIRR-UHFFFAOYSA-N
MW360.17 g/mol
LogP4.61
Rot. Bonds4

About 2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol

2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 61047867) has the molecular formula C15H13BrF3NO and a molecular weight of 360.17 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID61047867
Molecular FormulaC15H13BrF3NO
Molecular Weight360.17 g/mol
Exact Mass359.01
IUPAC Name2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESOCC(Nc1cccc(Br)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13BrF3NO/c16-12-2-1-3-13(8-12)20-14(9-21)10-4-6-11(7-5-10)15(17,18)19/h1-8,14,20-21H,9H2
InChIKeyDETSDEKCKWZIRR-UHFFFAOYSA-N
XLogP4.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65378734
2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol
CID 79979786
4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693460
(2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 46869838
2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol
CID 61048900
2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65377988
2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 61048471
2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol
CID 61050655
2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
CID 61050345
2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol
CID 61049669
2-(4-bromoanilino)-2-(3-bromophenyl)ethanol
CID 61047660

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol (CID 61047867) is 2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol is OCC(Nc1cccc(Br)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is DETSDEKCKWZIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO/c16-12-2-1-3-13(8-12)20-14(9-21)10-4-6-11(7-5-10)15(17,18)19/h1-8,14,20-21H,9H2.
What are the key properties of 2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol?
2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 360.17 g/mol, XLogP of 4.61, 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-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 61047867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).