4-bromo-2-ethenyl-N-phenylaniline

C14H12BrN — CID 139501916

IUPAC4-bromo-2-ethenyl-N-phenylaniline
SMILESC=Cc1cc(Br)ccc1Nc1ccccc1
InChIInChI=1S/C14H12BrN/c1-2-11-10-12(15)8-9-14(11)16-13-6-4-3-5-7-13/h2-10,16H,1H2
InChIKeyRTQINERMCHUNSR-UHFFFAOYSA-N
MW274.16 g/mol
LogP4.84
Rot. Bonds3

About 4-bromo-2-ethenyl-N-phenylaniline

4-bromo-2-ethenyl-N-phenylaniline (PubChem CID 139501916) has the molecular formula C14H12BrN and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-bromo-2-ethenyl-N-phenylaniline.

Molecular Properties

Compound Name4-bromo-2-ethenyl-N-phenylaniline
PubChem CID139501916
Molecular FormulaC14H12BrN
Molecular Weight274.16 g/mol
Exact Mass273.02
IUPAC Name4-bromo-2-ethenyl-N-phenylaniline
SMILESC=Cc1cc(Br)ccc1Nc1ccccc1
InChIInChI=1S/C14H12BrN/c1-2-11-10-12(15)8-9-14(11)16-13-6-4-3-5-7-13/h2-10,16H,1H2
InChIKeyRTQINERMCHUNSR-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethenyl-N-phenylaniline?
The IUPAC name of 4-bromo-2-ethenyl-N-phenylaniline (CID 139501916) is 4-bromo-2-ethenyl-N-phenylaniline.
What is the SMILES notation for 4-bromo-2-ethenyl-N-phenylaniline?
The canonical SMILES for 4-bromo-2-ethenyl-N-phenylaniline is C=Cc1cc(Br)ccc1Nc1ccccc1.
What is the InChIKey of 4-bromo-2-ethenyl-N-phenylaniline?
The InChIKey is RTQINERMCHUNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN/c1-2-11-10-12(15)8-9-14(11)16-13-6-4-3-5-7-13/h2-10,16H,1H2.
What are the key properties of 4-bromo-2-ethenyl-N-phenylaniline?
4-bromo-2-ethenyl-N-phenylaniline has a molecular weight of 274.16 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethenyl-N-phenylaniline is sourced from PubChem (CID 139501916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).