2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol

C14H13BrFNO — CID 61048900

IUPAC2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol
SMILESOCC(Nc1cccc(F)c1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrFNO/c15-11-4-1-3-10(7-11)14(9-18)17-13-6-2-5-12(16)8-13/h1-8,14,17-18H,9H2
InChIKeyOVLCAPGBHNHQRB-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.73
Rot. Bonds4

About 2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol

2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol (PubChem CID 61048900) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol
PubChem CID61048900
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol
SMILESOCC(Nc1cccc(F)c1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrFNO/c15-11-4-1-3-10(7-11)14(9-18)17-13-6-2-5-12(16)8-13/h1-8,14,17-18H,9H2
InChIKeyOVLCAPGBHNHQRB-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65382973
2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)ethanol
CID 81440489
2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
CID 61050345
2-(4-bromoanilino)-2-(3-bromophenyl)ethanol
CID 61047660
4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693460
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoroanilino)ethanol
CID 61048704
2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 61047867
2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol
CID 61050655
2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol
CID 61049669
2-(3-fluoroanilino)-2-(2-fluorophenyl)ethanol
CID 61048110

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol?
The IUPAC name of 2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol (CID 61048900) is 2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol?
The canonical SMILES for 2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol is OCC(Nc1cccc(F)c1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol?
The InChIKey is OVLCAPGBHNHQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-11-4-1-3-10(7-11)14(9-18)17-13-6-2-5-12(16)8-13/h1-8,14,17-18H,9H2.
What are the key properties of 2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol?
2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol has a molecular weight of 310.17 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol is sourced from PubChem (CID 61048900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).