1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol

C14H12BrF2NO — CID 82684547

IUPAC1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol
SMILESNc1ccc(F)cc1C(O)Cc1ccc(F)cc1Br
InChIInChI=1S/C14H12BrF2NO/c15-12-7-10(17)2-1-8(12)5-14(19)11-6-9(16)3-4-13(11)18/h1-4,6-7,14,19H,5,18H2
InChIKeyWMADERXXGYIVRX-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.59
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol

1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol (PubChem CID 82684547) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol
PubChem CID82684547
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol
SMILESNc1ccc(F)cc1C(O)Cc1ccc(F)cc1Br
InChIInChI=1S/C14H12BrF2NO/c15-12-7-10(17)2-1-8(12)5-14(19)11-6-9(16)3-4-13(11)18/h1-4,6-7,14,19H,5,18H2
InChIKeyWMADERXXGYIVRX-UHFFFAOYSA-N
XLogP3.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-amino-5-bromophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 82703485
1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 82685676
2-(2-bromo-4-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150787
2-(2-bromo-4-fluorophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanol
CID 115786975
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol
CID 65148185
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115786915
1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol
CID 82684971
1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82920437
2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115787001
2-(2-bromo-4-fluorophenyl)-1-pyridin-2-ylethanol
CID 62608368
2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol
CID 115786724
1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 82683165

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol (CID 82684547) is 1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol is Nc1ccc(F)cc1C(O)Cc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol?
The InChIKey is WMADERXXGYIVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c15-12-7-10(17)2-1-8(12)5-14(19)11-6-9(16)3-4-13(11)18/h1-4,6-7,14,19H,5,18H2.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol?
1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol has a molecular weight of 328.16 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol is sourced from PubChem (CID 82684547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).