1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol

C21H18F3NO — CID 169108594

IUPAC1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol
SMILESCC(O)c1ccc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H18F3NO/c1-14(26)15-6-8-16(9-7-15)19-4-2-3-5-20(19)25-18-12-10-17(11-13-18)21(22,23)24/h2-14,25-26H,1H3
InChIKeyDNXNIZWCITWZOH-UHFFFAOYSA-N
MW357.38 g/mol
LogP6.17
Rot. Bonds4

About 1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol

1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol (PubChem CID 169108594) has the molecular formula C21H18F3NO and a molecular weight of 357.38 g/mol. Its IUPAC name is 1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol
PubChem CID169108594
Molecular FormulaC21H18F3NO
Molecular Weight357.38 g/mol
Exact Mass357.13
IUPAC Name1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol
SMILESCC(O)c1ccc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H18F3NO/c1-14(26)15-6-8-16(9-7-15)19-4-2-3-5-20(19)25-18-12-10-17(11-13-18)21(22,23)24/h2-14,25-26H,1H3
InChIKeyDNXNIZWCITWZOH-UHFFFAOYSA-N
XLogP6.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.38
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 169108707
[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide
CID 175923781
N,2-bis(4-tert-butylphenyl)aniline
CID 176593215
[2-[4-(trifluoromethyl)anilino]phenyl]methanediol
CID 166685653
N-(4-tert-butylphenyl)-2-phenylaniline
CID 139372366
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
1-[4-[4-(1-hydroxyethyl)anilino]phenyl]ethanol
CID 18521146
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate
CID 152781290
2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 91021616
N-propan-2-yl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 155211847
2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 175930738

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol?
The IUPAC name of 1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol (CID 169108594) is 1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol?
The canonical SMILES for 1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol is CC(O)c1ccc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol?
The InChIKey is DNXNIZWCITWZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO/c1-14(26)15-6-8-16(9-7-15)19-4-2-3-5-20(19)25-18-12-10-17(11-13-18)21(22,23)24/h2-14,25-26H,1H3.
What are the key properties of 1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol?
1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol has a molecular weight of 357.38 g/mol, XLogP of 6.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol is sourced from PubChem (CID 169108594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).