2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline

C14H13Br2N — CID 71416566

IUPAC2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline
SMILESBrCc1ccccc1Nc1ccccc1CBr
InChIInChI=1S/C14H13Br2N/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8,17H,9-10H2
InChIKeyXWLYNZOESKEPMU-UHFFFAOYSA-N
MW355.07 g/mol
LogP5.22
Rot. Bonds4

About 2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline

2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline (PubChem CID 71416566) has the molecular formula C14H13Br2N and a molecular weight of 355.07 g/mol. Its IUPAC name is 2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline.

Molecular Properties

Compound Name2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline
PubChem CID71416566
Molecular FormulaC14H13Br2N
Molecular Weight355.07 g/mol
Exact Mass352.94
IUPAC Name2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline
SMILESBrCc1ccccc1Nc1ccccc1CBr
InChIInChI=1S/C14H13Br2N/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8,17H,9-10H2
InChIKeyXWLYNZOESKEPMU-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.07
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline?
The IUPAC name of 2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline (CID 71416566) is 2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline.
What is the SMILES notation for 2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline?
The canonical SMILES for 2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline is BrCc1ccccc1Nc1ccccc1CBr.
What is the InChIKey of 2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline?
The InChIKey is XWLYNZOESKEPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8,17H,9-10H2.
What are the key properties of 2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline?
2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline has a molecular weight of 355.07 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline is sourced from PubChem (CID 71416566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).