2-bromo-6-methanimidoyl-N-methylaniline

C8H9BrN2 — CID 142903029

IUPAC2-bromo-6-methanimidoyl-N-methylaniline
SMILES[H]/N=C/c1cccc(Br)c1NC
InChIInChI=1S/C8H9BrN2/c1-11-8-6(5-10)3-2-4-7(8)9/h2-5,10-11H,1H3/b10-5+
InChIKeyDXRNJTZXHZCCCY-BJMVGYQFSA-N
MW213.08 g/mol
LogP2.49
Rot. Bonds2

About 2-bromo-6-methanimidoyl-N-methylaniline

2-bromo-6-methanimidoyl-N-methylaniline (PubChem CID 142903029) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 2-bromo-6-methanimidoyl-N-methylaniline.

Molecular Properties

Compound Name2-bromo-6-methanimidoyl-N-methylaniline
PubChem CID142903029
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name2-bromo-6-methanimidoyl-N-methylaniline
SMILES[H]/N=C/c1cccc(Br)c1NC
InChIInChI=1S/C8H9BrN2/c1-11-8-6(5-10)3-2-4-7(8)9/h2-5,10-11H,1H3/b10-5+
InChIKeyDXRNJTZXHZCCCY-BJMVGYQFSA-N
XLogP2.49
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-methanimidoyl-2-(methylamino)phenyl]-3-methylphenol
CID 130459502
2-iodo-4-methanimidoyl-3-N-methylbenzene-1,3-diamine
CID 146622314
2-bromo-6-fluoro-N-methylaniline
CID 21161540
N-methylaniline;naphthalen-1-ylmethanimine
CID 143565448
(2-methanimidoyl-6-propylanilino) thiohypofluorite
CID 166949593
N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline
CID 87946949
(2,3-dichlorophenyl)methanimine
CID 21094549
2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline
CID 143075908
4-methanimidoylbenzene-1,3-diol;N-methylaniline
CID 135641187
N-tert-butyl-2-methanimidoylaniline
CID 170341484
N-(2-methanimidoylphenyl)hydroxylamine
CID 143516633
4-methanimidoyl-3-N,6-dimethylbenzene-1,3-diamine
CID 146283933

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methanimidoyl-N-methylaniline?
The IUPAC name of 2-bromo-6-methanimidoyl-N-methylaniline (CID 142903029) is 2-bromo-6-methanimidoyl-N-methylaniline.
What is the SMILES notation for 2-bromo-6-methanimidoyl-N-methylaniline?
The canonical SMILES for 2-bromo-6-methanimidoyl-N-methylaniline is [H]/N=C/c1cccc(Br)c1NC.
What is the InChIKey of 2-bromo-6-methanimidoyl-N-methylaniline?
The InChIKey is DXRNJTZXHZCCCY-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H9BrN2/c1-11-8-6(5-10)3-2-4-7(8)9/h2-5,10-11H,1H3/b10-5+.
What are the key properties of 2-bromo-6-methanimidoyl-N-methylaniline?
2-bromo-6-methanimidoyl-N-methylaniline has a molecular weight of 213.08 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methanimidoyl-N-methylaniline is sourced from PubChem (CID 142903029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).