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

C16H15BrF3N — CID 107630374

IUPAC3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCc1c(Br)cccc1NC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H15BrF3N/c1-10-14(17)8-5-9-15(10)21-11(2)12-6-3-4-7-13(12)16(18,19)20/h3-9,11,21H,1-2H3
InChIKeyFHNNFQYJZGUVNT-UHFFFAOYSA-N
MW358.20 g/mol
LogP5.95
Rot. Bonds3

About 3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline

3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline (PubChem CID 107630374) has the molecular formula C16H15BrF3N and a molecular weight of 358.20 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline.

Molecular Properties

Compound Name3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
PubChem CID107630374
Molecular FormulaC16H15BrF3N
Molecular Weight358.20 g/mol
Exact Mass357.03
IUPAC Name3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCc1c(Br)cccc1NC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H15BrF3N/c1-10-14(17)8-5-9-15(10)21-11(2)12-6-3-4-7-13(12)16(18,19)20/h3-9,11,21H,1-2H3
InChIKeyFHNNFQYJZGUVNT-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

2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43105751
3-chloro-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43098144
2-methylsulfanyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43683371
5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43555398
3-bromo-4-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 104776143
4-bromo-3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 65437825
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
4-bromo-N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethyl)aniline
CID 60790956
3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43099199
3-bromo-2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
CID 107629648
1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62801643
3-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylaniline
CID 107630093

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline?
The IUPAC name of 3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline (CID 107630374) is 3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline.
What is the SMILES notation for 3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline?
The canonical SMILES for 3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline is Cc1c(Br)cccc1NC(C)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline?
The InChIKey is FHNNFQYJZGUVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3N/c1-10-14(17)8-5-9-15(10)21-11(2)12-6-3-4-7-13(12)16(18,19)20/h3-9,11,21H,1-2H3.
What are the key properties of 3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline?
3-bromo-2-methyl-N-[1-[2-(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 3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline is sourced from PubChem (CID 107630374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).