4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline

C26H21F3N2O — CID 102043928

IUPAC4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline
SMILESNc1ccc(C(c2ccc(N)cc2)(c2ccc(Oc3ccccc3)cc2)C(F)(F)F)cc1
InChIInChI=1S/C26H21F3N2O/c27-26(28,29)25(18-6-12-21(30)13-7-18,19-8-14-22(31)15-9-19)20-10-16-24(17-11-20)32-23-4-2-1-3-5-23/h1-17H,30-31H2
InChIKeyNPGPTSAQTXAQFY-UHFFFAOYSA-N
MW434.46 g/mol
LogP6.54
Rot. Bonds5

About 4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline

4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline (PubChem CID 102043928) has the molecular formula C26H21F3N2O and a molecular weight of 434.46 g/mol. Its IUPAC name is 4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline
PubChem CID102043928
Molecular FormulaC26H21F3N2O
Molecular Weight434.46 g/mol
Exact Mass434.16
IUPAC Name4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline
SMILESNc1ccc(C(c2ccc(N)cc2)(c2ccc(Oc3ccccc3)cc2)C(F)(F)F)cc1
InChIInChI=1S/C26H21F3N2O/c27-26(28,29)25(18-6-12-21(30)13-7-18,19-8-14-22(31)15-9-19)20-10-16-24(17-11-20)32-23-4-2-1-3-5-23/h1-17H,30-31H2
InChIKeyNPGPTSAQTXAQFY-UHFFFAOYSA-N
XLogP6.54
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.46
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenoxyaniline
CID 158390066
1,1,1,2,2,3-hexafluoropropane;4-phenoxyaniline
CID 175083375
4-[4-[1-[4-(4-aminophenoxy)phenyl]-1,1,2,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline
CID 18363745
4-[4-[4-[[4-[4-(4-aminophenyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]aniline
CID 176584730
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
3-(4-aminophenoxy)-5-phenoxyaniline
CID 686776
4-(4-aminophenoxy)aniline
CID 161415647
4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline
CID 87470163
4-N-[4-(4-amino-N-(4-phenoxyphenyl)anilino)phenyl]-4-N-(4-phenoxyphenyl)benzene-1,4-diamine
CID 89202314
5-[4-[1-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-2,2,2-trifluoro-1-phenylethyl]phenoxy]-2-benzofuran-1,3-dione
CID 102003983
1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol
CID 13463093
3-[3-[2-[3-(3-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-[3-[2-[3-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline
CID 157307509

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline?
The IUPAC name of 4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline (CID 102043928) is 4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline.
What is the SMILES notation for 4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline?
The canonical SMILES for 4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline is Nc1ccc(C(c2ccc(N)cc2)(c2ccc(Oc3ccccc3)cc2)C(F)(F)F)cc1.
What is the InChIKey of 4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline?
The InChIKey is NPGPTSAQTXAQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O/c27-26(28,29)25(18-6-12-21(30)13-7-18,19-8-14-22(31)15-9-19)20-10-16-24(17-11-20)32-23-4-2-1-3-5-23/h1-17H,30-31H2.
What are the key properties of 4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline?
4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline has a molecular weight of 434.46 g/mol, XLogP of 6.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline is sourced from PubChem (CID 102043928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).