N'-(4-bromo-2,6-dimethylphenyl)-N,N-dimethylmethanimidamide

C11H15BrN2 — CID 14146421

IUPACN'-(4-bromo-2,6-dimethylphenyl)-N,N-dimethylmethanimidamide
SMILESCc1cc(Br)cc(C)c1/N=C/N(C)C
InChIInChI=1S/C11H15BrN2/c1-8-5-10(12)6-9(2)11(8)13-7-14(3)4/h5-7H,1-4H3/b13-7+
InChIKeyXRAIVSTVKPCNRZ-NTUHNPAUSA-N
MW255.16 g/mol
LogP3.29
Rot. Bonds2

About N'-(4-bromo-2,6-dimethylphenyl)-N,N-dimethylmethanimidamide

N'-(4-bromo-2,6-dimethylphenyl)-N,N-dimethylmethanimidamide (PubChem CID 14146421) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is N'-(4-bromo-2,6-dimethylphenyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(4-bromo-2,6-dimethylphenyl)-N,N-dimethylmethanimidamide
PubChem CID14146421
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC NameN'-(4-bromo-2,6-dimethylphenyl)-N,N-dimethylmethanimidamide
SMILESCc1cc(Br)cc(C)c1/N=C/N(C)C
InChIInChI=1S/C11H15BrN2/c1-8-5-10(12)6-9(2)11(8)13-7-14(3)4/h5-7H,1-4H3/b13-7+
InChIKeyXRAIVSTVKPCNRZ-NTUHNPAUSA-N
XLogP3.29
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(4-bromo-2,6-dimethylphenyl)-N,N-dimethylmethanimidamide 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 N'-(4-bromo-2,6-dimethylphenyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(4-bromo-2,6-dimethylphenyl)-N,N-dimethylmethanimidamide (CID 14146421) is N'-(4-bromo-2,6-dimethylphenyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(4-bromo-2,6-dimethylphenyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(4-bromo-2,6-dimethylphenyl)-N,N-dimethylmethanimidamide is Cc1cc(Br)cc(C)c1/N=C/N(C)C.
What is the InChIKey of N'-(4-bromo-2,6-dimethylphenyl)-N,N-dimethylmethanimidamide?
The InChIKey is XRAIVSTVKPCNRZ-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-8-5-10(12)6-9(2)11(8)13-7-14(3)4/h5-7H,1-4H3/b13-7+.
What are the key properties of N'-(4-bromo-2,6-dimethylphenyl)-N,N-dimethylmethanimidamide?
N'-(4-bromo-2,6-dimethylphenyl)-N,N-dimethylmethanimidamide has a molecular weight of 255.16 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2,6-dimethylphenyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 14146421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).