4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline

C15H14BrF2N — CID 107082587

IUPAC4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(C)c2c(F)cc(CBr)cc2F)c1
InChIInChI=1S/C15H14BrF2N/c1-10-4-3-5-12(6-10)19(2)15-13(17)7-11(9-16)8-14(15)18/h3-8H,9H2,1-2H3
InChIKeySONQYPVLTHEWRJ-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.94
Rot. Bonds3

About 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline

4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline (PubChem CID 107082587) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline.

Molecular Properties

Compound Name4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline
PubChem CID107082587
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(C)c2c(F)cc(CBr)cc2F)c1
InChIInChI=1S/C15H14BrF2N/c1-10-4-3-5-12(6-10)19(2)15-13(17)7-11(9-16)8-14(15)18/h3-8H,9H2,1-2H3
InChIKeySONQYPVLTHEWRJ-UHFFFAOYSA-N
XLogP4.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline 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

4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline
CID 63815627
4-[4-(bromomethyl)-2,6-difluoro-N-methylanilino]benzonitrile
CID 107083026
5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine
CID 103552989
4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(4-methylphenyl)aniline
CID 107082552
3-[4-(bromomethyl)-2,6-difluorophenoxy]-N,N-dimethylaniline
CID 107088145
N,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline
CID 163852785
4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline
CID 63075774
3-[2,6-difluoro-4-(hydroxymethyl)-N-methylanilino]benzonitrile
CID 63075668
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
5-(bromomethyl)-N-(3-fluorophenyl)-N-methylpyrimidin-2-amine
CID 107082652
4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene
CID 107087025
N-[3-(bromomethyl)phenyl]-2-chloro-N,4-dimethylaniline
CID 164602194

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline?
The IUPAC name of 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline (CID 107082587) is 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline.
What is the SMILES notation for 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline?
The canonical SMILES for 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline is Cc1cccc(N(C)c2c(F)cc(CBr)cc2F)c1.
What is the InChIKey of 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline?
The InChIKey is SONQYPVLTHEWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-10-4-3-5-12(6-10)19(2)15-13(17)7-11(9-16)8-14(15)18/h3-8H,9H2,1-2H3.
What are the key properties of 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline?
4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline has a molecular weight of 326.18 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline is sourced from PubChem (CID 107082587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).