N,3-dibromo-2-methylaniline

C7H7Br2N — CID 155755469

IUPACN,3-dibromo-2-methylaniline
SMILESCc1c(Br)cccc1NBr
InChIInChI=1S/C7H7Br2N/c1-5-6(8)3-2-4-7(5)10-9/h2-4,10H,1H3
InChIKeyKSAVAQAUIZLJKJ-UHFFFAOYSA-N
MW264.95 g/mol
LogP3.48
Rot. Bonds1

About N,3-dibromo-2-methylaniline

N,3-dibromo-2-methylaniline (PubChem CID 155755469) has the molecular formula C7H7Br2N and a molecular weight of 264.95 g/mol. Its IUPAC name is N,3-dibromo-2-methylaniline.

Molecular Properties

Compound NameN,3-dibromo-2-methylaniline
PubChem CID155755469
Molecular FormulaC7H7Br2N
Molecular Weight264.95 g/mol
Exact Mass262.89
IUPAC NameN,3-dibromo-2-methylaniline
SMILESCc1c(Br)cccc1NBr
InChIInChI=1S/C7H7Br2N/c1-5-6(8)3-2-4-7(5)10-9/h2-4,10H,1H3
InChIKeyKSAVAQAUIZLJKJ-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.95
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,3-dibromo-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

Related Compounds

3-bromo-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 107629620
3-(3-bromo-2-methylanilino)propane-1,2-diol
CID 107633538
1-(3-bromo-2-methylphenyl)-3-methylthiourea
CID 103638933
N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide
CID 123237382
4-(3-bromo-2-methylanilino)pentan-1-ol
CID 115976130
N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107625152
2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine
CID 107633682
3-bromo-2-methyl-N-(2-phenylethyl)aniline
CID 107629722
3-bromo-2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107876494
N-(3-bromo-2-methylphenyl)-2-phenylpropanamide
CID 104917334
3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 107640767
N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103733456

Frequently Asked Questions

What is the IUPAC name of N,3-dibromo-2-methylaniline?
The IUPAC name of N,3-dibromo-2-methylaniline (CID 155755469) is N,3-dibromo-2-methylaniline.
What is the SMILES notation for N,3-dibromo-2-methylaniline?
The canonical SMILES for N,3-dibromo-2-methylaniline is Cc1c(Br)cccc1NBr.
What is the InChIKey of N,3-dibromo-2-methylaniline?
The InChIKey is KSAVAQAUIZLJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2N/c1-5-6(8)3-2-4-7(5)10-9/h2-4,10H,1H3.
What are the key properties of N,3-dibromo-2-methylaniline?
N,3-dibromo-2-methylaniline has a molecular weight of 264.95 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dibromo-2-methylaniline is sourced from PubChem (CID 155755469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).