4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline

C15H14F3NO — CID 162519931

IUPAC4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline
SMILESCC(Oc1ccc(N)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO/c1-10(20-14-8-6-13(19)7-9-14)11-2-4-12(5-3-11)15(16,17)18/h2-10H,19H2,1H3
InChIKeyDKGWWEJPGBJIJW-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.43
Rot. Bonds3

About 4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline

4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline (PubChem CID 162519931) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline.

Molecular Properties

Compound Name4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline
PubChem CID162519931
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline
SMILESCC(Oc1ccc(N)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO/c1-10(20-14-8-6-13(19)7-9-14)11-2-4-12(5-3-11)15(16,17)18/h2-10H,19H2,1H3
InChIKeyDKGWWEJPGBJIJW-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(1-phenoxyethyl)aniline
CID 61262602
1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea
CID 19868741
O-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 11805842
1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene
CID 71379545
4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline
CID 66580012
4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61263886
molecular iodine;4-(trifluoromethyl)aniline
CID 158841642
4-[4-[1,1,1-tris[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 172849484
4-(1,2,2,3,3,3-hexafluoropropoxy)aniline
CID 174979795
4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline
CID 57089892
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline?
The IUPAC name of 4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline (CID 162519931) is 4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline.
What is the SMILES notation for 4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline?
The canonical SMILES for 4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline is CC(Oc1ccc(N)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline?
The InChIKey is DKGWWEJPGBJIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-10(20-14-8-6-13(19)7-9-14)11-2-4-12(5-3-11)15(16,17)18/h2-10H,19H2,1H3.
What are the key properties of 4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline?
4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline has a molecular weight of 281.28 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline is sourced from PubChem (CID 162519931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).