N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline

C15H13BrF3N — CID 173173608

IUPACN-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline
SMILESCc1ccccc1NCc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C15H13BrF3N/c1-10-4-2-3-5-14(10)20-9-11-6-7-13(16)12(8-11)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyWUQLAKFSYWJZOV-UHFFFAOYSA-N
MW344.17 g/mol
LogP5.39
Rot. Bonds3

About N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline

N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline (PubChem CID 173173608) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline
PubChem CID173173608
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC NameN-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline
SMILESCc1ccccc1NCc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C15H13BrF3N/c1-10-4-2-3-5-14(10)20-9-11-6-7-13(16)12(8-11)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyWUQLAKFSYWJZOV-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.17
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline
CID 66472582
N-[(4-bromo-3-methylphenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 66473781
N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline
CID 79710755
N-[(4-bromo-3-methylphenyl)methyl]-2,3-difluoroaniline
CID 66472419
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126126202
N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine
CID 115407132
N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline
CID 28585998
4-bromo-N-[(3,4-difluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 43230401
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29031697
2-[(4-bromo-3-methylphenyl)methylamino]benzonitrile
CID 66473176
4-[[4-bromo-3-(trifluoromethyl)anilino]methyl]benzene-1,2-diol
CID 43680396
N-[(4-bromo-3-methylphenyl)methyl]-3-chloro-2-fluoroaniline
CID 66474796

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline?
The IUPAC name of N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline (CID 173173608) is N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline.
What is the SMILES notation for N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline?
The canonical SMILES for N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline is Cc1ccccc1NCc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline?
The InChIKey is WUQLAKFSYWJZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-10-4-2-3-5-14(10)20-9-11-6-7-13(16)12(8-11)15(17,18)19/h2-8,20H,9H2,1H3.
What are the key properties of N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline?
N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline has a molecular weight of 344.17 g/mol, XLogP of 5.39, 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-(trifluoromethyl)phenyl]methyl]-2-methylaniline is sourced from PubChem (CID 173173608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).