5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline

C16H15BrF3N — CID 43729368

IUPAC5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCc1ccc(Br)cc1NC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15BrF3N/c1-10-3-8-14(17)9-15(10)21-11(2)12-4-6-13(7-5-12)16(18,19)20/h3-9,11,21H,1-2H3
InChIKeyDLGOCMJNPXKBTA-UHFFFAOYSA-N
MW358.20 g/mol
LogP5.95
Rot. Bonds3

About 5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline

5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline (PubChem CID 43729368) has the molecular formula C16H15BrF3N and a molecular weight of 358.20 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline.

Molecular Properties

Compound Name5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
PubChem CID43729368
Molecular FormulaC16H15BrF3N
Molecular Weight358.20 g/mol
Exact Mass357.03
IUPAC Name5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCc1ccc(Br)cc1NC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15BrF3N/c1-10-3-8-14(17)9-15(10)21-11(2)12-4-6-13(7-5-12)16(18,19)20/h3-9,11,21H,1-2H3
InChIKeyDLGOCMJNPXKBTA-UHFFFAOYSA-N
XLogP5.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.20
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43099949
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline
CID 43729562
3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107070
N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66479729
2,4-dibromo-N-[1-(4-tert-butylphenyl)ethyl]aniline
CID 63427633
5-bromo-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylaniline
CID 43729592
5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43729607
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43093379
5-chloro-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43094249
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094
N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline
CID 43105030
5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline?
The IUPAC name of 5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline (CID 43729368) is 5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline.
What is the SMILES notation for 5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline?
The canonical SMILES for 5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline is Cc1ccc(Br)cc1NC(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline?
The InChIKey is DLGOCMJNPXKBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3N/c1-10-3-8-14(17)9-15(10)21-11(2)12-4-6-13(7-5-12)16(18,19)20/h3-9,11,21H,1-2H3.
What are the key properties of 5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline?
5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline has a molecular weight of 358.20 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline is sourced from PubChem (CID 43729368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).