2-(dibromomethyl)-N,N-dimethylaniline

C9H11Br2N — CID 56618314

IUPAC2-(dibromomethyl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1C(Br)Br
InChIInChI=1S/C9H11Br2N/c1-12(2)8-6-4-3-5-7(8)9(10)11/h3-6,9H,1-2H3
InChIKeyDRPLCHZZVRKDGL-UHFFFAOYSA-N
MW293.00 g/mol
LogP3.54
Rot. Bonds2

About 2-(dibromomethyl)-N,N-dimethylaniline

2-(dibromomethyl)-N,N-dimethylaniline (PubChem CID 56618314) has the molecular formula C9H11Br2N and a molecular weight of 293.00 g/mol. Its IUPAC name is 2-(dibromomethyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(dibromomethyl)-N,N-dimethylaniline
PubChem CID56618314
Molecular FormulaC9H11Br2N
Molecular Weight293.00 g/mol
Exact Mass290.93
IUPAC Name2-(dibromomethyl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1C(Br)Br
InChIInChI=1S/C9H11Br2N/c1-12(2)8-6-4-3-5-7(8)9(10)11/h3-6,9H,1-2H3
InChIKeyDRPLCHZZVRKDGL-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.00
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(dibromomethyl)-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dibromomethyl)-N,N-dimethylaniline?
The IUPAC name of 2-(dibromomethyl)-N,N-dimethylaniline (CID 56618314) is 2-(dibromomethyl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(dibromomethyl)-N,N-dimethylaniline?
The canonical SMILES for 2-(dibromomethyl)-N,N-dimethylaniline is CN(C)c1ccccc1C(Br)Br.
What is the InChIKey of 2-(dibromomethyl)-N,N-dimethylaniline?
The InChIKey is DRPLCHZZVRKDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2N/c1-12(2)8-6-4-3-5-7(8)9(10)11/h3-6,9H,1-2H3.
What are the key properties of 2-(dibromomethyl)-N,N-dimethylaniline?
2-(dibromomethyl)-N,N-dimethylaniline has a molecular weight of 293.00 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibromomethyl)-N,N-dimethylaniline is sourced from PubChem (CID 56618314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).