4-bromo-N-ethyl-N-methyl-3-(trifluoromethyl)aniline

C10H11BrF3N — CID 58704541

IUPAC4-bromo-N-ethyl-N-methyl-3-(trifluoromethyl)aniline
SMILESCCN(C)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H11BrF3N/c1-3-15(2)7-4-5-9(11)8(6-7)10(12,13)14/h4-6H,3H2,1-2H3
InChIKeyRHECBAFDENGCKP-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.92
Rot. Bonds2

About 4-bromo-N-ethyl-N-methyl-3-(trifluoromethyl)aniline

4-bromo-N-ethyl-N-methyl-3-(trifluoromethyl)aniline (PubChem CID 58704541) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-methyl-3-(trifluoromethyl)aniline
PubChem CID58704541
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name4-bromo-N-ethyl-N-methyl-3-(trifluoromethyl)aniline
SMILESCCN(C)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H11BrF3N/c1-3-15(2)7-4-5-9(11)8(6-7)10(12,13)14/h4-6H,3H2,1-2H3
InChIKeyRHECBAFDENGCKP-UHFFFAOYSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-methyl-3-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-ethyl-N-methyl-3-(trifluoromethyl)aniline (CID 58704541) is 4-bromo-N-ethyl-N-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-ethyl-N-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-ethyl-N-methyl-3-(trifluoromethyl)aniline is CCN(C)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-ethyl-N-methyl-3-(trifluoromethyl)aniline?
The InChIKey is RHECBAFDENGCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-3-15(2)7-4-5-9(11)8(6-7)10(12,13)14/h4-6H,3H2,1-2H3.
What are the key properties of 4-bromo-N-ethyl-N-methyl-3-(trifluoromethyl)aniline?
4-bromo-N-ethyl-N-methyl-3-(trifluoromethyl)aniline has a molecular weight of 282.10 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 58704541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).