2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline

C15H14F3N — CID 81288373

IUPAC2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline
SMILESCCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1N
InChIInChI=1S/C15H14F3N/c1-2-10-9-12(5-8-14(10)19)11-3-6-13(7-4-11)15(16,17)18/h3-9H,2,19H2,1H3
InChIKeyBGQNVLGVQUDNPJ-UHFFFAOYSA-N
MW265.28 g/mol
LogP4.52
Rot. Bonds2

About 2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline

2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 81288373) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline
PubChem CID81288373
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline
SMILESCCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1N
InChIInChI=1S/C15H14F3N/c1-2-10-9-12(5-8-14(10)19)11-3-6-13(7-4-11)15(16,17)18/h3-9H,2,19H2,1H3
InChIKeyBGQNVLGVQUDNPJ-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline (CID 81288373) is 2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline is CCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1N.
What is the InChIKey of 2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is BGQNVLGVQUDNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-2-10-9-12(5-8-14(10)19)11-3-6-13(7-4-11)15(16,17)18/h3-9H,2,19H2,1H3.
What are the key properties of 2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline?
2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 265.28 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 81288373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).