4-[4-[1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-4-(4-octylphenyl)cyclohexyl]-2-(trifluoromethyl)phenoxy]aniline

C46H48F6N2O2 — CID 19927208

IUPAC4-[4-[1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-4-(4-octylphenyl)cyclohexyl]-2-(trifluoromethyl)phenoxy]aniline
SMILESCCCCCCCCc1ccc(C2CCC(c3ccc(Oc4ccc(N)cc4)c(C(F)(F)F)c3)(c3ccc(Oc4ccc(N)cc4)c(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C46H48F6N2O2/c1-2-3-4-5-6-7-8-31-9-11-32(12-10-31)33-25-27-44(28-26-33,34-13-23-42(40(29-34)45(47,48)49)55-38-19-15-36(53)16-20-38)35-14-24-43(41(30-35)46(50,51)52)56-39-21-17-37(54)18-22-39/h9-24,29-30,33H,2-8,25-28,53-54H2,1H3
InChIKeyRZGAYRUILHEWST-UHFFFAOYSA-N
MW774.89 g/mol
LogP14.02
Rot. Bonds14

About 4-[4-[1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-4-(4-octylphenyl)cyclohexyl]-2-(trifluoromethyl)phenoxy]aniline

4-[4-[1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-4-(4-octylphenyl)cyclohexyl]-2-(trifluoromethyl)phenoxy]aniline (PubChem CID 19927208) has the molecular formula C46H48F6N2O2 and a molecular weight of 774.89 g/mol. Its IUPAC name is 4-[4-[1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-4-(4-octylphenyl)cyclohexyl]-2-(trifluoromethyl)phenoxy]aniline.

Molecular Properties

Compound Name4-[4-[1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-4-(4-octylphenyl)cyclohexyl]-2-(trifluoromethyl)phenoxy]aniline
PubChem CID19927208
Molecular FormulaC46H48F6N2O2
Molecular Weight774.89 g/mol
Exact Mass774.36
IUPAC Name4-[4-[1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-4-(4-octylphenyl)cyclohexyl]-2-(trifluoromethyl)phenoxy]aniline
SMILESCCCCCCCCc1ccc(C2CCC(c3ccc(Oc4ccc(N)cc4)c(C(F)(F)F)c3)(c3ccc(Oc4ccc(N)cc4)c(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C46H48F6N2O2/c1-2-3-4-5-6-7-8-31-9-11-32(12-10-31)33-25-27-44(28-26-33,34-13-23-42(40(29-34)45(47,48)49)55-38-19-15-36(53)16-20-38)35-14-24-43(41(30-35)46(50,51)52)56-39-21-17-37(54)18-22-39/h9-24,29-30,33H,2-8,25-28,53-54H2,1H3
InChIKeyRZGAYRUILHEWST-UHFFFAOYSA-N
XLogP14.02
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.89
LogP ≤ 514.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-[1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-4-(4-octylphenyl)cyclohexyl]-2-(trifluoromethyl)phenoxy]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-[4-[1-[4-(4-amino-2-methylphenoxy)-3-methylphenyl]-4-(3-hexylphenyl)cyclohexyl]-2-methylphenoxy]-3-methylaniline
CID 19927143
4-[4-[1-[4-(4-amino-2-methylphenoxy)-3-methylphenyl]-4-(3-octylphenyl)cyclohexyl]-2-methylphenoxy]-3-methylaniline
CID 19927148
4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol
CID 19429970
4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)aniline
CID 671283
4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-[(4-hexylphenyl)methyl]cyclohexyl]phenyl]ethyl]aniline
CID 159333075
1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 20677014
4-[4-[(4-heptylphenyl)methyl]cyclohexyl]aniline
CID 70181436
4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline
CID 70180529
4-[4-[1-[4-(4-aminophenoxy)-3,5-dimethylphenyl]-4-dodecylcyclohexyl]-2,6-dimethylphenoxy]aniline
CID 19873658
4-[4-[1-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-tert-butylphenyl]cyclopentyl]-2-tert-butylphenoxy]-3-(trifluoromethyl)aniline
CID 139899829
1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene
CID 18650649
4-dodecylaniline;nonadecane
CID 155059812

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-4-(4-octylphenyl)cyclohexyl]-2-(trifluoromethyl)phenoxy]aniline?
The IUPAC name of 4-[4-[1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-4-(4-octylphenyl)cyclohexyl]-2-(trifluoromethyl)phenoxy]aniline (CID 19927208) is 4-[4-[1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-4-(4-octylphenyl)cyclohexyl]-2-(trifluoromethyl)phenoxy]aniline.
What is the SMILES notation for 4-[4-[1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-4-(4-octylphenyl)cyclohexyl]-2-(trifluoromethyl)phenoxy]aniline?
The canonical SMILES for 4-[4-[1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-4-(4-octylphenyl)cyclohexyl]-2-(trifluoromethyl)phenoxy]aniline is CCCCCCCCc1ccc(C2CCC(c3ccc(Oc4ccc(N)cc4)c(C(F)(F)F)c3)(c3ccc(Oc4ccc(N)cc4)c(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 4-[4-[1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-4-(4-octylphenyl)cyclohexyl]-2-(trifluoromethyl)phenoxy]aniline?
The InChIKey is RZGAYRUILHEWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48F6N2O2/c1-2-3-4-5-6-7-8-31-9-11-32(12-10-31)33-25-27-44(28-26-33,34-13-23-42(40(29-34)45(47,48)49)55-38-19-15-36(53)16-20-38)35-14-24-43(41(30-35)46(50,51)52)56-39-21-17-37(54)18-22-39/h9-24,29-30,33H,2-8,25-28,53-54H2,1H3.
What are the key properties of 4-[4-[1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-4-(4-octylphenyl)cyclohexyl]-2-(trifluoromethyl)phenoxy]aniline?
4-[4-[1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-4-(4-octylphenyl)cyclohexyl]-2-(trifluoromethyl)phenoxy]aniline has a molecular weight of 774.89 g/mol, XLogP of 14.02, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-4-(4-octylphenyl)cyclohexyl]-2-(trifluoromethyl)phenoxy]aniline is sourced from PubChem (CID 19927208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).