bromo-(2,5-dimethylphenyl)methanamine

C9H12BrN — CID 116947555

IUPACbromo-(2,5-dimethylphenyl)methanamine
SMILESCc1ccc(C)c(C(N)Br)c1
InChIInChI=1S/C9H12BrN/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5,9H,11H2,1-2H3
InChIKeyIWRNNIUAKJGGHE-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.66
Rot. Bonds1

About bromo-(2,5-dimethylphenyl)methanamine

bromo-(2,5-dimethylphenyl)methanamine (PubChem CID 116947555) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is bromo-(2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Namebromo-(2,5-dimethylphenyl)methanamine
PubChem CID116947555
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Namebromo-(2,5-dimethylphenyl)methanamine
SMILESCc1ccc(C)c(C(N)Br)c1
InChIInChI=1S/C9H12BrN/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5,9H,11H2,1-2H3
InChIKeyIWRNNIUAKJGGHE-UHFFFAOYSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bromo-(2,5-dimethylphenyl)methanamine 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

1-(2,5-dimethylphenyl)ethanamine
CID 4991344
2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene
CID 63442067
2-cyclopropyl-1-(2,5-dimethylphenyl)propan-1-amine
CID 83154374
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
2-amino-2-(2,5-dimethylphenyl)acetaldehyde
CID 116938991
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63437609
1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 175668922
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200
1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine
CID 116715174
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine
CID 82360034

Frequently Asked Questions

What is the IUPAC name of bromo-(2,5-dimethylphenyl)methanamine?
The IUPAC name of bromo-(2,5-dimethylphenyl)methanamine (CID 116947555) is bromo-(2,5-dimethylphenyl)methanamine.
What is the SMILES notation for bromo-(2,5-dimethylphenyl)methanamine?
The canonical SMILES for bromo-(2,5-dimethylphenyl)methanamine is Cc1ccc(C)c(C(N)Br)c1.
What is the InChIKey of bromo-(2,5-dimethylphenyl)methanamine?
The InChIKey is IWRNNIUAKJGGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5,9H,11H2,1-2H3.
What are the key properties of bromo-(2,5-dimethylphenyl)methanamine?
bromo-(2,5-dimethylphenyl)methanamine has a molecular weight of 214.11 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 116947555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).