[5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]ethyl]-2-ethenylphenyl]methanol

C20H21ClF3NO — CID 118349183

IUPAC[5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]ethyl]-2-ethenylphenyl]methanol
SMILESC=Cc1ccc(C(C)N(CC)c2ccc(Cl)c(C(F)(F)F)c2)cc1CO
InChIInChI=1S/C20H21ClF3NO/c1-4-14-6-7-15(10-16(14)12-26)13(3)25(5-2)17-8-9-19(21)18(11-17)20(22,23)24/h4,6-11,13,26H,1,5,12H2,2-3H3
InChIKeyRXPLFLYHLRZJJS-UHFFFAOYSA-N
MW383.84 g/mol
LogP6.08
Rot. Bonds6

About [5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]ethyl]-2-ethenylphenyl]methanol

[5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]ethyl]-2-ethenylphenyl]methanol (PubChem CID 118349183) has the molecular formula C20H21ClF3NO and a molecular weight of 383.84 g/mol. Its IUPAC name is [5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]ethyl]-2-ethenylphenyl]methanol.

Molecular Properties

Compound Name[5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]ethyl]-2-ethenylphenyl]methanol
PubChem CID118349183
Molecular FormulaC20H21ClF3NO
Molecular Weight383.84 g/mol
Exact Mass383.13
IUPAC Name[5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]ethyl]-2-ethenylphenyl]methanol
SMILESC=Cc1ccc(C(C)N(CC)c2ccc(Cl)c(C(F)(F)F)c2)cc1CO
InChIInChI=1S/C20H21ClF3NO/c1-4-14-6-7-15(10-16(14)12-26)13(3)25(5-2)17-8-9-19(21)18(11-17)20(22,23)24/h4,6-11,13,26H,1,5,12H2,2-3H3
InChIKeyRXPLFLYHLRZJJS-UHFFFAOYSA-N
XLogP6.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.84
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-N-ethyl-4-(trifluoromethyl)anilino]butan-1-ol
CID 145131853
(1R,2S)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171263350
1-[[5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]-2-hydroxyethyl]-2-methylphenyl]methyl]azetidine-3-carboxylic acid
CID 118349232
(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171269007
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
CID 156849313
(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171269027
4-chloro-3-(trifluoromethyl)benzaldehyde;1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol
CID 159228446
(Z)-3-amino-4-[N-amino-4-chloro-3-(trifluoromethyl)anilino]but-3-en-1-ol
CID 146437910
(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 131272107
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
2-N-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 107085533
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171265717

Frequently Asked Questions

What is the IUPAC name of [5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]ethyl]-2-ethenylphenyl]methanol?
The IUPAC name of [5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]ethyl]-2-ethenylphenyl]methanol (CID 118349183) is [5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]ethyl]-2-ethenylphenyl]methanol.
What is the SMILES notation for [5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]ethyl]-2-ethenylphenyl]methanol?
The canonical SMILES for [5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]ethyl]-2-ethenylphenyl]methanol is C=Cc1ccc(C(C)N(CC)c2ccc(Cl)c(C(F)(F)F)c2)cc1CO.
What is the InChIKey of [5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]ethyl]-2-ethenylphenyl]methanol?
The InChIKey is RXPLFLYHLRZJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3NO/c1-4-14-6-7-15(10-16(14)12-26)13(3)25(5-2)17-8-9-19(21)18(11-17)20(22,23)24/h4,6-11,13,26H,1,5,12H2,2-3H3.
What are the key properties of [5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]ethyl]-2-ethenylphenyl]methanol?
[5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]ethyl]-2-ethenylphenyl]methanol has a molecular weight of 383.84 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]ethyl]-2-ethenylphenyl]methanol is sourced from PubChem (CID 118349183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).