3,6-dibromo-N-(2-iminoethyl)-2-methylaniline

C9H10Br2N2 — CID 137429102

IUPAC3,6-dibromo-N-(2-iminoethyl)-2-methylaniline
SMILES[H]/N=C/CNc1c(Br)ccc(Br)c1C
InChIInChI=1S/C9H10Br2N2/c1-6-7(10)2-3-8(11)9(6)13-5-4-12/h2-4,12-13H,5H2,1H3/b12-4+
InChIKeyHYGAVMZHRVEUGU-UUILKARUSA-N
MW306.00 g/mol
LogP3.58
Rot. Bonds3

About 3,6-dibromo-N-(2-iminoethyl)-2-methylaniline

3,6-dibromo-N-(2-iminoethyl)-2-methylaniline (PubChem CID 137429102) has the molecular formula C9H10Br2N2 and a molecular weight of 306.00 g/mol. Its IUPAC name is 3,6-dibromo-N-(2-iminoethyl)-2-methylaniline.

Molecular Properties

Compound Name3,6-dibromo-N-(2-iminoethyl)-2-methylaniline
PubChem CID137429102
Molecular FormulaC9H10Br2N2
Molecular Weight306.00 g/mol
Exact Mass303.92
IUPAC Name3,6-dibromo-N-(2-iminoethyl)-2-methylaniline
SMILES[H]/N=C/CNc1c(Br)ccc(Br)c1C
InChIInChI=1S/C9H10Br2N2/c1-6-7(10)2-3-8(11)9(6)13-5-4-12/h2-4,12-13H,5H2,1H3/b12-4+
InChIKeyHYGAVMZHRVEUGU-UUILKARUSA-N
XLogP3.58
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.00
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3,6-dibromo-N-(2-iminoethyl)-2-methylaniline 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 3,6-dibromo-N-(2-iminoethyl)-2-methylaniline?
The IUPAC name of 3,6-dibromo-N-(2-iminoethyl)-2-methylaniline (CID 137429102) is 3,6-dibromo-N-(2-iminoethyl)-2-methylaniline.
What is the SMILES notation for 3,6-dibromo-N-(2-iminoethyl)-2-methylaniline?
The canonical SMILES for 3,6-dibromo-N-(2-iminoethyl)-2-methylaniline is [H]/N=C/CNc1c(Br)ccc(Br)c1C.
What is the InChIKey of 3,6-dibromo-N-(2-iminoethyl)-2-methylaniline?
The InChIKey is HYGAVMZHRVEUGU-UUILKARUSA-N. The full InChI is InChI=1S/C9H10Br2N2/c1-6-7(10)2-3-8(11)9(6)13-5-4-12/h2-4,12-13H,5H2,1H3/b12-4+.
What are the key properties of 3,6-dibromo-N-(2-iminoethyl)-2-methylaniline?
3,6-dibromo-N-(2-iminoethyl)-2-methylaniline has a molecular weight of 306.00 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-N-(2-iminoethyl)-2-methylaniline is sourced from PubChem (CID 137429102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).