2-[[2-(2-hydroxyphenyl)-3-propan-2-ylphenyl]methylamino]-5-(trifluoromethyl)phenol

C23H22F3NO2 — CID 166438902

IUPAC2-[[2-(2-hydroxyphenyl)-3-propan-2-ylphenyl]methylamino]-5-(trifluoromethyl)phenol
SMILESCC(C)c1cccc(CNc2ccc(C(F)(F)F)cc2O)c1-c1ccccc1O
InChIInChI=1S/C23H22F3NO2/c1-14(2)17-8-5-6-15(22(17)18-7-3-4-9-20(18)28)13-27-19-11-10-16(12-21(19)29)23(24,25)26/h3-12,14,27-29H,13H2,1-2H3
InChIKeyHFYQEZBLGSTMMJ-UHFFFAOYSA-N
MW401.43 g/mol
LogP6.52
Rot. Bonds5

About 2-[[2-(2-hydroxyphenyl)-3-propan-2-ylphenyl]methylamino]-5-(trifluoromethyl)phenol

2-[[2-(2-hydroxyphenyl)-3-propan-2-ylphenyl]methylamino]-5-(trifluoromethyl)phenol (PubChem CID 166438902) has the molecular formula C23H22F3NO2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 2-[[2-(2-hydroxyphenyl)-3-propan-2-ylphenyl]methylamino]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[[2-(2-hydroxyphenyl)-3-propan-2-ylphenyl]methylamino]-5-(trifluoromethyl)phenol
PubChem CID166438902
Molecular FormulaC23H22F3NO2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name2-[[2-(2-hydroxyphenyl)-3-propan-2-ylphenyl]methylamino]-5-(trifluoromethyl)phenol
SMILESCC(C)c1cccc(CNc2ccc(C(F)(F)F)cc2O)c1-c1ccccc1O
InChIInChI=1S/C23H22F3NO2/c1-14(2)17-8-5-6-15(22(17)18-7-3-4-9-20(18)28)13-27-19-11-10-16(12-21(19)29)23(24,25)26/h3-12,14,27-29H,13H2,1-2H3
InChIKeyHFYQEZBLGSTMMJ-UHFFFAOYSA-N
XLogP6.52
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.43
LogP ≤ 56.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-5-(trifluoromethyl)phenol
CID 82262951
ethane;2-propan-2-yl-5-(trifluoromethyl)phenol
CID 177136292
2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 115951717
2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol
CID 61390242
2-[[2,6-di(propan-2-yl)anilino]methyl]-6-phenylphenol
CID 174772916
2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 43723801
2-chloro-N-[(2-ethylphenyl)methyl]-4-(trifluoromethyl)aniline
CID 63442300
2-[1-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]phenol
CID 43192351
2-(ethylaminomethyl)-5-(trifluoromethyl)phenol
CID 82549994
2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 63036121
1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea
CID 22011313
1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene
CID 101460916

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-hydroxyphenyl)-3-propan-2-ylphenyl]methylamino]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[[2-(2-hydroxyphenyl)-3-propan-2-ylphenyl]methylamino]-5-(trifluoromethyl)phenol (CID 166438902) is 2-[[2-(2-hydroxyphenyl)-3-propan-2-ylphenyl]methylamino]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[[2-(2-hydroxyphenyl)-3-propan-2-ylphenyl]methylamino]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[[2-(2-hydroxyphenyl)-3-propan-2-ylphenyl]methylamino]-5-(trifluoromethyl)phenol is CC(C)c1cccc(CNc2ccc(C(F)(F)F)cc2O)c1-c1ccccc1O.
What is the InChIKey of 2-[[2-(2-hydroxyphenyl)-3-propan-2-ylphenyl]methylamino]-5-(trifluoromethyl)phenol?
The InChIKey is HFYQEZBLGSTMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3NO2/c1-14(2)17-8-5-6-15(22(17)18-7-3-4-9-20(18)28)13-27-19-11-10-16(12-21(19)29)23(24,25)26/h3-12,14,27-29H,13H2,1-2H3.
What are the key properties of 2-[[2-(2-hydroxyphenyl)-3-propan-2-ylphenyl]methylamino]-5-(trifluoromethyl)phenol?
2-[[2-(2-hydroxyphenyl)-3-propan-2-ylphenyl]methylamino]-5-(trifluoromethyl)phenol has a molecular weight of 401.43 g/mol, XLogP of 6.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-hydroxyphenyl)-3-propan-2-ylphenyl]methylamino]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 166438902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).