4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline

C15H14BrClFN — CID 107573481

IUPAC4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline
SMILESCc1cc(NCc2ccc(F)cc2Cl)cc(C)c1Br
InChIInChI=1S/C15H14BrClFN/c1-9-5-13(6-10(2)15(9)16)19-8-11-3-4-12(18)7-14(11)17/h3-7,19H,8H2,1-2H3
InChIKeyCUGWMZDXKNSJKF-UHFFFAOYSA-N
MW342.64 g/mol
LogP5.47
Rot. Bonds3

About 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline

4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline (PubChem CID 107573481) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline
PubChem CID107573481
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline
SMILESCc1cc(NCc2ccc(F)cc2Cl)cc(C)c1Br
InChIInChI=1S/C15H14BrClFN/c1-9-5-13(6-10(2)15(9)16)19-8-11-3-4-12(18)7-14(11)17/h3-7,19H,8H2,1-2H3
InChIKeyCUGWMZDXKNSJKF-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054679
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 28555155
3,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoroaniline
CID 107573826
4-[(4-bromo-3,5-dimethylanilino)methyl]-3-chlorobenzonitrile
CID 107573647
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline
CID 107364885
N-[(4-bromo-2-chlorophenyl)methyl]-3-fluoro-5-methylaniline
CID 113470978
4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 30051350
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3-methoxyaniline
CID 82868186
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469947
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline
CID 107571724
N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55196577
N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 113470951

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline?
The IUPAC name of 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline (CID 107573481) is 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline?
The canonical SMILES for 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline is Cc1cc(NCc2ccc(F)cc2Cl)cc(C)c1Br.
What is the InChIKey of 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline?
The InChIKey is CUGWMZDXKNSJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-9-5-13(6-10(2)15(9)16)19-8-11-3-4-12(18)7-14(11)17/h3-7,19H,8H2,1-2H3.
What are the key properties of 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline?
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline has a molecular weight of 342.64 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline is sourced from PubChem (CID 107573481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).