4-[(4-bromophenyl)methylselanyl]aniline

C13H12BrNSe — CID 162787602

IUPAC4-[(4-bromophenyl)methylselanyl]aniline
SMILESNc1ccc([Se]Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C13H12BrNSe/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9,15H2
InChIKeyQDOFNHDOLWJMPS-UHFFFAOYSA-N
MW341.11 g/mol
LogP2.56
Rot. Bonds3

About 4-[(4-bromophenyl)methylselanyl]aniline

4-[(4-bromophenyl)methylselanyl]aniline (PubChem CID 162787602) has the molecular formula C13H12BrNSe and a molecular weight of 341.11 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methylselanyl]aniline.

Molecular Properties

Compound Name4-[(4-bromophenyl)methylselanyl]aniline
PubChem CID162787602
Molecular FormulaC13H12BrNSe
Molecular Weight341.11 g/mol
Exact Mass340.93
IUPAC Name4-[(4-bromophenyl)methylselanyl]aniline
SMILESNc1ccc([Se]Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C13H12BrNSe/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9,15H2
InChIKeyQDOFNHDOLWJMPS-UHFFFAOYSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.11
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-(phenylselanylmethyl)benzene
CID 12681929
4-bromoaniline;hydroiodide
CID 175433533
4-[[(4-bromophenyl)methyl-cyclopropylamino]methyl]aniline
CID 43460624
1,4-bis[(4-tert-butylphenyl)selanylmethyl]benzene
CID 100934762
4-[(4-bromophenyl)methylsulfinyl]aniline
CID 61368304
2-(4-aminophenyl)selanylacetonitrile
CID 155516428
4-[(E)-2-(4-bromophenyl)ethenyl]aniline
CID 165349864
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
1-bromo-4-phenylbenzene;4-methylaniline;1-methyl-4-[(4-phenylphenyl)methyl]benzene
CID 161391373
1-ethyl-4-(phenylselanylmethyl)benzene
CID 140560574
(4-bromophenyl) selenohypobromite
CID 11834013

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methylselanyl]aniline?
The IUPAC name of 4-[(4-bromophenyl)methylselanyl]aniline (CID 162787602) is 4-[(4-bromophenyl)methylselanyl]aniline.
What is the SMILES notation for 4-[(4-bromophenyl)methylselanyl]aniline?
The canonical SMILES for 4-[(4-bromophenyl)methylselanyl]aniline is Nc1ccc([Se]Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methylselanyl]aniline?
The InChIKey is QDOFNHDOLWJMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNSe/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9,15H2.
What are the key properties of 4-[(4-bromophenyl)methylselanyl]aniline?
4-[(4-bromophenyl)methylselanyl]aniline has a molecular weight of 341.11 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methylselanyl]aniline is sourced from PubChem (CID 162787602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).