N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline

C15H15BrFN — CID 81436699

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NCc2ccc(Br)c(F)c2)c1
InChIInChI=1S/C15H15BrFN/c1-10-5-11(2)7-13(6-10)18-9-12-3-4-14(16)15(17)8-12/h3-8,18H,9H2,1-2H3
InChIKeyCBRYSJOQEZEAFI-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.82
Rot. Bonds3

About N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline

N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline (PubChem CID 81436699) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
PubChem CID81436699
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NCc2ccc(Br)c(F)c2)c1
InChIInChI=1S/C15H15BrFN/c1-10-5-11(2)7-13(6-10)18-9-12-3-4-14(16)15(17)8-12/h3-8,18H,9H2,1-2H3
InChIKeyCBRYSJOQEZEAFI-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 81436065
N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
CID 55040391
N-[(4-bromo-3-fluorophenyl)methyl]-4-chloroaniline
CID 81432792
N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine
CID 107587862
N-[(4-bromo-3-fluorophenyl)methyl]-3-methyl-4-nitroaniline
CID 78982385
4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylaniline
CID 63645668
2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol
CID 81002416
N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 81431279
4-bromo-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 65437481
N-[(4-bromo-3-fluorophenyl)methyl]-4-ethylsulfonylaniline
CID 79671646
2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol
CID 107685847
N-[(4-bromo-3-fluorophenyl)methyl]-4-methyl-3-nitroaniline
CID 81436605

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline (CID 81436699) is N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline is Cc1cc(C)cc(NCc2ccc(Br)c(F)c2)c1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline?
The InChIKey is CBRYSJOQEZEAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-10-5-11(2)7-13(6-10)18-9-12-3-4-14(16)15(17)8-12/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline?
N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline has a molecular weight of 308.19 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline is sourced from PubChem (CID 81436699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).