N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline

C15H14F3N — CID 12040748

IUPACN-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCC(Nc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N/c1-11(19-14-5-3-2-4-6-14)12-7-9-13(10-8-12)15(16,17)18/h2-11,19H,1H3
InChIKeyBDJXYTCMIYUJPJ-UHFFFAOYSA-N
MW265.28 g/mol
LogP4.88
Rot. Bonds3

About N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline

N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline (PubChem CID 12040748) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
PubChem CID12040748
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCC(Nc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N/c1-11(19-14-5-3-2-4-6-14)12-7-9-13(10-8-12)15(16,17)18/h2-11,19H,1H3
InChIKeyBDJXYTCMIYUJPJ-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline?
The IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline (CID 12040748) is N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline.
What is the SMILES notation for N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline?
The canonical SMILES for N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline is CC(Nc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline?
The InChIKey is BDJXYTCMIYUJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-11(19-14-5-3-2-4-6-14)12-7-9-13(10-8-12)15(16,17)18/h2-11,19H,1H3.
What are the key properties of N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline?
N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline has a molecular weight of 265.28 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline is sourced from PubChem (CID 12040748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).