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

C14H13BrFNO — CID 106695425

IUPAC1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
SMILESNc1ccc(C(O)Cc2cc(Br)ccc2F)cc1
InChIInChI=1S/C14H13BrFNO/c15-11-3-6-13(16)10(7-11)8-14(18)9-1-4-12(17)5-2-9/h1-7,14,18H,8,17H2
InChIKeyFHLOWUCJFNDJEQ-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.45
Rot. Bonds3

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

1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol (PubChem CID 106695425) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
PubChem CID106695425
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
SMILESNc1ccc(C(O)Cc2cc(Br)ccc2F)cc1
InChIInChI=1S/C14H13BrFNO/c15-11-3-6-13(16)10(7-11)8-14(18)9-1-4-12(17)5-2-9/h1-7,14,18H,8,17H2
InChIKeyFHLOWUCJFNDJEQ-UHFFFAOYSA-N
XLogP3.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.45
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-(4-aminophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 106695442
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2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
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2-(5-bromo-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanol
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2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol
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CID 115784984
2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol
CID 65146068
1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 115784854
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 65148571
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389
2-(5-bromo-2-fluorophenyl)-1-(5-bromofuran-2-yl)ethanol
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CID 115784822

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol (CID 106695425) is 1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol is Nc1ccc(C(O)Cc2cc(Br)ccc2F)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol?
The InChIKey is FHLOWUCJFNDJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-11-3-6-13(16)10(7-11)8-14(18)9-1-4-12(17)5-2-9/h1-7,14,18H,8,17H2.
What are the key properties of 1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol?
1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol has a molecular weight of 310.17 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol is sourced from PubChem (CID 106695425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).