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

C16H15BrF3N — CID 107286537

IUPAC5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline
SMILESCC(CNc1cc(Br)ccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H15BrF3N/c1-11(12-5-3-2-4-6-12)10-21-15-9-13(17)7-8-14(15)16(18,19)20/h2-9,11,21H,10H2,1H3
InChIKeyANCGUHUEAJTQMG-UHFFFAOYSA-N
MW358.20 g/mol
LogP5.68
Rot. Bonds4

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

5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline (PubChem CID 107286537) has the molecular formula C16H15BrF3N and a molecular weight of 358.20 g/mol. Its IUPAC name is 5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline
PubChem CID107286537
Molecular FormulaC16H15BrF3N
Molecular Weight358.20 g/mol
Exact Mass357.03
IUPAC Name5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline
SMILESCC(CNc1cc(Br)ccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H15BrF3N/c1-11(12-5-3-2-4-6-12)10-21-15-9-13(17)7-8-14(15)16(18,19)20/h2-9,11,21H,10H2,1H3
InChIKeyANCGUHUEAJTQMG-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.20
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline
CID 107286561
4-bromo-2-(2-phenylpropylamino)benzoic acid
CID 114907492
1-[5-bromo-2-(trifluoromethyl)anilino]pentan-2-ol
CID 107286594
5-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 107285802
2-[[5-bromo-2-(trifluoromethyl)anilino]methyl]phenol
CID 107286631
4-[5-bromo-2-(trifluoromethyl)anilino]-2-methylbutanoic acid
CID 107285618
5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline
CID 102853196
3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
CID 106171079
2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol
CID 107286259
4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline
CID 65470059
5-bromo-N-butyl-2-(trifluoromethyl)aniline
CID 107285846
5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 107286070

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline (CID 107286537) is 5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline is CC(CNc1cc(Br)ccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of 5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline?
The InChIKey is ANCGUHUEAJTQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3N/c1-11(12-5-3-2-4-6-12)10-21-15-9-13(17)7-8-14(15)16(18,19)20/h2-9,11,21H,10H2,1H3.
What are the key properties of 5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline?
5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline has a molecular weight of 358.20 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 107286537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).