4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline

C15H12BrF4N — CID 65483223

IUPAC4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
SMILESFc1cccc(CCNc2ccc(Br)cc2C(F)(F)F)c1
InChIInChI=1S/C15H12BrF4N/c16-11-4-5-14(13(9-11)15(18,19)20)21-7-6-10-2-1-3-12(17)8-10/h1-5,8-9,21H,6-7H2
InChIKeyPROGTWJUFYKVMI-UHFFFAOYSA-N
MW362.16 g/mol
LogP5.26
Rot. Bonds4

About 4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline

4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline (PubChem CID 65483223) has the molecular formula C15H12BrF4N and a molecular weight of 362.16 g/mol. Its IUPAC name is 4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
PubChem CID65483223
Molecular FormulaC15H12BrF4N
Molecular Weight362.16 g/mol
Exact Mass361.01
IUPAC Name4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
SMILESFc1cccc(CCNc2ccc(Br)cc2C(F)(F)F)c1
InChIInChI=1S/C15H12BrF4N/c16-11-4-5-14(13(9-11)15(18,19)20)21-7-6-10-2-1-3-12(17)8-10/h1-5,8-9,21H,6-7H2
InChIKeyPROGTWJUFYKVMI-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

N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 63535412
4-bromo-N-(3-phenylpropyl)-2-(trifluoromethyl)aniline
CID 60792367
N-benzyl-4-bromo-2-(trifluoromethyl)aniline
CID 60792374
4-bromo-2-[2-(3-fluorophenyl)ethylamino]benzoic acid
CID 114907242
4-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 60792864
4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline
CID 60864182
4-bromo-N-(4,4,4-trifluorobutyl)-2-(trifluoromethyl)aniline
CID 115513559
4-bromo-N-[(4-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 60790630
N-[2-(3-bromophenyl)ethyl]-4-fluoroaniline
CID 76852078
N-[4-bromo-2-(trifluoromethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
CID 54918575
4-bromo-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)aniline
CID 59557088
4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)aniline
CID 106177582

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline (CID 65483223) is 4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline is Fc1cccc(CCNc2ccc(Br)cc2C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline?
The InChIKey is PROGTWJUFYKVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF4N/c16-11-4-5-14(13(9-11)15(18,19)20)21-7-6-10-2-1-3-12(17)8-10/h1-5,8-9,21H,6-7H2.
What are the key properties of 4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline?
4-bromo-N-[2-(3-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 4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 65483223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).