N-bromo-2,5-dimethylaniline

C8H10BrN — CID 154170384

IUPACN-bromo-2,5-dimethylaniline
SMILESCc1ccc(C)c(NBr)c1
InChIInChI=1S/C8H10BrN/c1-6-3-4-7(2)8(5-6)10-9/h3-5,10H,1-2H3
InChIKeyWMPJIWFGPJBOTQ-UHFFFAOYSA-N
MW200.08 g/mol
LogP3.03
Rot. Bonds1

About N-bromo-2,5-dimethylaniline

N-bromo-2,5-dimethylaniline (PubChem CID 154170384) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is N-bromo-2,5-dimethylaniline.

Molecular Properties

Compound NameN-bromo-2,5-dimethylaniline
PubChem CID154170384
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC NameN-bromo-2,5-dimethylaniline
SMILESCc1ccc(C)c(NBr)c1
InChIInChI=1S/C8H10BrN/c1-6-3-4-7(2)8(5-6)10-9/h3-5,10H,1-2H3
InChIKeyWMPJIWFGPJBOTQ-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-bromo-2,5-dimethylaniline with MolForge

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

Launch Full Analysis

Related Compounds

N-chloro-2,5-dimethylaniline
CID 141218472
N-(2,5-dimethylphenyl)methanethioamide
CID 123161887
N-(2,5-dimethylphenyl)propane-2-sulfonamide
CID 62997790
N-(2,5-dimethylphenyl)formamide;methane
CID 143644510
N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 12666397
2-bromo-N-(2,5-dimethylphenyl)-3-methylbutanamide
CID 24710246
1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine
CID 57130016
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
2,5-dimethyl-N-(1-phenylbutyl)aniline
CID 43110358
N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28585840
N-(2,5-dimethylphenyl)ethanesulfonamide
CID 902936
1,2,4-trimethylbenzene
CID 7247

Frequently Asked Questions

What is the IUPAC name of N-bromo-2,5-dimethylaniline?
The IUPAC name of N-bromo-2,5-dimethylaniline (CID 154170384) is N-bromo-2,5-dimethylaniline.
What is the SMILES notation for N-bromo-2,5-dimethylaniline?
The canonical SMILES for N-bromo-2,5-dimethylaniline is Cc1ccc(C)c(NBr)c1.
What is the InChIKey of N-bromo-2,5-dimethylaniline?
The InChIKey is WMPJIWFGPJBOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-6-3-4-7(2)8(5-6)10-9/h3-5,10H,1-2H3.
What are the key properties of N-bromo-2,5-dimethylaniline?
N-bromo-2,5-dimethylaniline has a molecular weight of 200.08 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-2,5-dimethylaniline is sourced from PubChem (CID 154170384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).