2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline

C15H15BrFN — CID 114065440

IUPAC2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
SMILESCc1ccccc1N(C)c1cccc(F)c1CBr
InChIInChI=1S/C15H15BrFN/c1-11-6-3-4-8-14(11)18(2)15-9-5-7-13(17)12(15)10-16/h3-9H,10H2,1-2H3
InChIKeyPLWCBDODMPOIJW-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.80
Rot. Bonds3

About 2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline

2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline (PubChem CID 114065440) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline.

Molecular Properties

Compound Name2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
PubChem CID114065440
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
SMILESCc1ccccc1N(C)c1cccc(F)c1CBr
InChIInChI=1S/C15H15BrFN/c1-11-6-3-4-8-14(11)18(2)15-9-5-7-13(17)12(15)10-16/h3-9H,10H2,1-2H3
InChIKeyPLWCBDODMPOIJW-UHFFFAOYSA-N
XLogP4.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-3-fluoro-N-methyl-N-(2-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

2-(bromomethyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline
CID 107082621
6-fluoro-N-methyl-N-(2-methylphenyl)dibenzofuran-4-amine
CID 134527955
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499
2-(bromomethyl)-1,3-difluorobenzene;ethene
CID 178142068
4-(bromomethyl)-N-methyl-N-(2-methylphenyl)-2-(trifluoromethyl)aniline
CID 107082578
3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene
CID 130056287
3-chloro-N-methyl-N-(2-methylphenyl)-2-[(propan-2-ylamino)methyl]aniline
CID 63553262
3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine
CID 107082571
N,10-dimethyl-N-phenylcyclodeca-1,3,5,7,9-pentaen-1-amine
CID 135227535
1,2-bis(bromomethyl)-3-fluorobenzene
CID 14111600
2-[(N,2-dimethylanilino)methyl]-6-fluorophenol
CID 112616193
2-(bromomethyl)-3-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 107079222

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline?
The IUPAC name of 2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline (CID 114065440) is 2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline.
What is the SMILES notation for 2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline?
The canonical SMILES for 2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline is Cc1ccccc1N(C)c1cccc(F)c1CBr.
What is the InChIKey of 2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline?
The InChIKey is PLWCBDODMPOIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-11-6-3-4-8-14(11)18(2)15-9-5-7-13(17)12(15)10-16/h3-9H,10H2,1-2H3.
What are the key properties of 2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline?
2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline has a molecular weight of 308.19 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline is sourced from PubChem (CID 114065440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).