2-[2-(4-bromophenyl)ethyl]-4-fluoroaniline

C14H13BrFN — CID 58564964

IUPAC2-[2-(4-bromophenyl)ethyl]-4-fluoroaniline
SMILESNc1ccc(F)cc1CCc1ccc(Br)cc1
InChIInChI=1S/C14H13BrFN/c15-12-5-2-10(3-6-12)1-4-11-9-13(16)7-8-14(11)17/h2-3,5-9H,1,4,17H2
InChIKeyXGFZJDBHBDRYCK-UHFFFAOYSA-N
MW294.17 g/mol
LogP3.96
Rot. Bonds3

About 2-[2-(4-bromophenyl)ethyl]-4-fluoroaniline

2-[2-(4-bromophenyl)ethyl]-4-fluoroaniline (PubChem CID 58564964) has the molecular formula C14H13BrFN and a molecular weight of 294.17 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethyl]-4-fluoroaniline
PubChem CID58564964
Molecular FormulaC14H13BrFN
Molecular Weight294.17 g/mol
Exact Mass293.02
IUPAC Name2-[2-(4-bromophenyl)ethyl]-4-fluoroaniline
SMILESNc1ccc(F)cc1CCc1ccc(Br)cc1
InChIInChI=1S/C14H13BrFN/c15-12-5-2-10(3-6-12)1-4-11-9-13(16)7-8-14(11)17/h2-3,5-9H,1,4,17H2
InChIKeyXGFZJDBHBDRYCK-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethyl]-4-fluoroaniline?
The IUPAC name of 2-[2-(4-bromophenyl)ethyl]-4-fluoroaniline (CID 58564964) is 2-[2-(4-bromophenyl)ethyl]-4-fluoroaniline.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethyl]-4-fluoroaniline?
The canonical SMILES for 2-[2-(4-bromophenyl)ethyl]-4-fluoroaniline is Nc1ccc(F)cc1CCc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)ethyl]-4-fluoroaniline?
The InChIKey is XGFZJDBHBDRYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN/c15-12-5-2-10(3-6-12)1-4-11-9-13(16)7-8-14(11)17/h2-3,5-9H,1,4,17H2.
What are the key properties of 2-[2-(4-bromophenyl)ethyl]-4-fluoroaniline?
2-[2-(4-bromophenyl)ethyl]-4-fluoroaniline has a molecular weight of 294.17 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 58564964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).