5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline

C15H12BrF4N — CID 107285856

IUPAC5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
SMILESFc1ccccc1CCNc1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C15H12BrF4N/c16-11-5-6-12(15(18,19)20)14(9-11)21-8-7-10-3-1-2-4-13(10)17/h1-6,9,21H,7-8H2
InChIKeyPKYFYMFYVIVWAD-UHFFFAOYSA-N
MW362.16 g/mol
LogP5.26
Rot. Bonds4

About 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline

5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline (PubChem CID 107285856) has the molecular formula C15H12BrF4N and a molecular weight of 362.16 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
PubChem CID107285856
Molecular FormulaC15H12BrF4N
Molecular Weight362.16 g/mol
Exact Mass361.01
IUPAC Name5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
SMILESFc1ccccc1CCNc1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C15H12BrF4N/c16-11-5-6-12(15(18,19)20)14(9-11)21-8-7-10-3-1-2-4-13(10)17/h1-6,9,21H,7-8H2
InChIKeyPKYFYMFYVIVWAD-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.16
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline
CID 115511442
5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106795925
5-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 107285802
5-bromo-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)aniline
CID 107285876
2-[[5-bromo-2-(trifluoromethyl)anilino]methyl]phenol
CID 107286631
5-bromo-N-butyl-2-(trifluoromethyl)aniline
CID 107285846
5-bromo-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)aniline
CID 107286088
5-bromo-2-(trifluoromethyl)-N-(5,5,5-trifluoropentyl)aniline
CID 107286470
4-[5-bromo-2-(trifluoromethyl)anilino]butan-1-ol
CID 107286675
5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 107286070
3-[5-bromo-2-(trifluoromethyl)anilino]propane-1-sulfonamide
CID 107286165
5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 106418688

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline (CID 107285856) is 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline is Fc1ccccc1CCNc1cc(Br)ccc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline?
The InChIKey is PKYFYMFYVIVWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF4N/c16-11-5-6-12(15(18,19)20)14(9-11)21-8-7-10-3-1-2-4-13(10)17/h1-6,9,21H,7-8H2.
What are the key properties of 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline?
5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline has a molecular weight of 362.16 g/mol, XLogP of 5.26, 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-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 107285856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).