1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol

C14H12BrClFNO — CID 107884341

IUPAC1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
SMILESNc1ccc(Br)cc1C(O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H12BrClFNO/c15-9-2-4-13(18)10(7-9)14(19)6-8-1-3-11(16)12(17)5-8/h1-5,7,14,19H,6,18H2
InChIKeyOFCRMXHMLLXEGS-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.10
Rot. Bonds3

About 1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol

1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol (PubChem CID 107884341) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
PubChem CID107884341
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
SMILESNc1ccc(Br)cc1C(O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H12BrClFNO/c15-9-2-4-13(18)10(7-9)14(19)6-8-1-3-11(16)12(17)5-8/h1-5,7,14,19H,6,18H2
InChIKeyOFCRMXHMLLXEGS-UHFFFAOYSA-N
XLogP4.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894369
1-(4-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883490
1-(3-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883507
1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol
CID 82704231
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107891666
1-(2-chloro-3-fluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894454
1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894521
2-(4-chloro-3-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 107883504
1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867541
1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82920437
2-(4-chloro-3-fluorophenyl)-1-(2,3-dichlorophenyl)ethanol
CID 107883512
1-(2-amino-5-bromophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 82703485

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol?
The IUPAC name of 1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol (CID 107884341) is 1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol?
The canonical SMILES for 1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol is Nc1ccc(Br)cc1C(O)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol?
The InChIKey is OFCRMXHMLLXEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-9-2-4-13(18)10(7-9)14(19)6-8-1-3-11(16)12(17)5-8/h1-5,7,14,19H,6,18H2.
What are the key properties of 1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol?
1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol has a molecular weight of 344.61 g/mol, XLogP of 4.10, 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-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol is sourced from PubChem (CID 107884341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).