N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline

C14H12BrF2N — CID 55194295

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline
SMILESCc1cc(NCc2ccc(Br)cc2F)ccc1F
InChIInChI=1S/C14H12BrF2N/c1-9-6-12(4-5-13(9)16)18-8-10-2-3-11(15)7-14(10)17/h2-7,18H,8H2,1H3
InChIKeyQZPSEBGIXACQKM-UHFFFAOYSA-N
MW312.16 g/mol
LogP4.65
Rot. Bonds3

About N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline

N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline (PubChem CID 55194295) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline
PubChem CID55194295
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline
SMILESCc1cc(NCc2ccc(Br)cc2F)ccc1F
InChIInChI=1S/C14H12BrF2N/c1-9-6-12(4-5-13(9)16)18-8-10-2-3-11(15)7-14(10)17/h2-7,18H,8H2,1H3
InChIKeyQZPSEBGIXACQKM-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-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

N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55196577
3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide
CID 62810109
4-[(4-fluoro-3-methylanilino)methyl]benzene-1,3-diol
CID 55119119
4-[(4-bromo-2-fluorophenyl)methylamino]benzene-1,2-dicarbonitrile
CID 107788521
3-bromo-4-[(4-fluoro-3-methylanilino)methyl]benzoic acid
CID 103249428
N-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 43676295
N-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43230996
N-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43093225
N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline
CID 43242955
N-[(4-bromo-2-fluorophenyl)methyl]-4-butylaniline
CID 43242983
N-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline
CID 43234278
2-[4-[(4-bromo-2-fluorophenyl)methylamino]phenyl]-2-methylpropanenitrile
CID 43674384

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline (CID 55194295) is N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline is Cc1cc(NCc2ccc(Br)cc2F)ccc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline?
The InChIKey is QZPSEBGIXACQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c1-9-6-12(4-5-13(9)16)18-8-10-2-3-11(15)7-14(10)17/h2-7,18H,8H2,1H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline?
N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline has a molecular weight of 312.16 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline is sourced from PubChem (CID 55194295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).