2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol

C14H12Br2FNO — CID 61050655

IUPAC2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol
SMILESOCC(Nc1cccc(Br)c1)c1cc(Br)ccc1F
InChIInChI=1S/C14H12Br2FNO/c15-9-2-1-3-11(6-9)18-14(8-19)12-7-10(16)4-5-13(12)17/h1-7,14,18-19H,8H2
InChIKeySVCCIAVTALUFNW-UHFFFAOYSA-N
MW389.06 g/mol
LogP4.50
Rot. Bonds4

About 2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol

2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol (PubChem CID 61050655) has the molecular formula C14H12Br2FNO and a molecular weight of 389.06 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol
PubChem CID61050655
Molecular FormulaC14H12Br2FNO
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol
SMILESOCC(Nc1cccc(Br)c1)c1cc(Br)ccc1F
InChIInChI=1S/C14H12Br2FNO/c15-9-2-1-3-11(6-9)18-14(8-19)12-7-10(16)4-5-13(12)17/h1-7,14,18-19H,8H2
InChIKeySVCCIAVTALUFNW-UHFFFAOYSA-N
XLogP4.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050260
2-(3-bromoanilino)-2-(2-methylphenyl)ethanol
CID 61048065
4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693460
2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol
CID 61049669
2-(2-fluorophenyl)-2-(3-methylanilino)ethanol
CID 61050184
2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol
CID 61048900
2-anilino-2-(5-bromo-2-chlorophenyl)ethanol
CID 114077180
2-(3-fluoroanilino)-2-(2-fluorophenyl)ethanol
CID 61048110
2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 61047867
2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 82972861
2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
CID 61050345
2-(4-bromoanilino)-2-(3-bromophenyl)ethanol
CID 61047660

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol?
The IUPAC name of 2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol (CID 61050655) is 2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol?
The canonical SMILES for 2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol is OCC(Nc1cccc(Br)c1)c1cc(Br)ccc1F.
What is the InChIKey of 2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol?
The InChIKey is SVCCIAVTALUFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO/c15-9-2-1-3-11(6-9)18-14(8-19)12-7-10(16)4-5-13(12)17/h1-7,14,18-19H,8H2.
What are the key properties of 2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol?
2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol has a molecular weight of 389.06 g/mol, XLogP of 4.50, 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-(5-bromo-2-fluorophenyl)ethanol is sourced from PubChem (CID 61050655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).