5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline

C12H15BrF3NO — CID 107286561

IUPAC5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline
SMILESCCOC(C)CNc1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C12H15BrF3NO/c1-3-18-8(2)7-17-11-6-9(13)4-5-10(11)12(14,15)16/h4-6,8,17H,3,7H2,1-2H3
InChIKeyATYSXXQBVXSOCL-UHFFFAOYSA-N
MW326.16 g/mol
LogP4.30
Rot. Bonds5

About 5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline

5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline (PubChem CID 107286561) has the molecular formula C12H15BrF3NO and a molecular weight of 326.16 g/mol. Its IUPAC name is 5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline
PubChem CID107286561
Molecular FormulaC12H15BrF3NO
Molecular Weight326.16 g/mol
Exact Mass325.03
IUPAC Name5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline
SMILESCCOC(C)CNc1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C12H15BrF3NO/c1-3-18-8(2)7-17-11-6-9(13)4-5-10(11)12(14,15)16/h4-6,8,17H,3,7H2,1-2H3
InChIKeyATYSXXQBVXSOCL-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline
CID 107286537
1-[5-bromo-2-(trifluoromethyl)anilino]pentan-2-ol
CID 107286594
5-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 107285802
5-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)aniline
CID 107286657
5-bromo-N-butyl-2-(trifluoromethyl)aniline
CID 107285846
3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
CID 106171079
2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol
CID 107286259
5-bromo-N-(4-methylhexan-2-yl)-2-(trifluoromethyl)aniline
CID 107286355
4-[5-bromo-2-(trifluoromethyl)anilino]-2-methylbutanoic acid
CID 107285618
5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 107286070
5-bromo-2-(trifluoromethyl)-N-(5,5,5-trifluoropentyl)aniline
CID 107286470
5-bromo-N-(2-ethoxypropyl)pyridin-2-amine
CID 115658186

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline (CID 107286561) is 5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline is CCOC(C)CNc1cc(Br)ccc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline?
The InChIKey is ATYSXXQBVXSOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF3NO/c1-3-18-8(2)7-17-11-6-9(13)4-5-10(11)12(14,15)16/h4-6,8,17H,3,7H2,1-2H3.
What are the key properties of 5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline?
5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline has a molecular weight of 326.16 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 107286561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).