2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline

C18H19F3N2O3 — CID 7066795

IUPAC2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline
SMILESCOc1cc(/C(C)=N/Nc2ccccc2C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C18H19F3N2O3/c1-11(12-9-15(24-2)17(26-4)16(10-12)25-3)22-23-14-8-6-5-7-13(14)18(19,20)21/h5-10,23H,1-4H3/b22-11+
InChIKeyAYSGHSDKLLGTOR-SSDVNMTOSA-N
MW368.36 g/mol
LogP4.57
Rot. Bonds6

About 2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline

2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline (PubChem CID 7066795) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline.

Molecular Properties

Compound Name2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline
PubChem CID7066795
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline
SMILESCOc1cc(/C(C)=N/Nc2ccccc2C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C18H19F3N2O3/c1-11(12-9-15(24-2)17(26-4)16(10-12)25-3)22-23-14-8-6-5-7-13(14)18(19,20)21/h5-10,23H,1-4H3/b22-11+
InChIKeyAYSGHSDKLLGTOR-SSDVNMTOSA-N
XLogP4.57
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-nitro-N-[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline
CID 6006376
5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol
CID 135614035
N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine
CID 4546533
N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 4164524
N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline
CID 9069122
N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine
CID 4985798
[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea
CID 6003302
2-methoxy-6-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135675966
2,3-dimethoxy-6-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoate
CID 8972331
3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6005452
N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline
CID 9014681
N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 20968994

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline?
The IUPAC name of 2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline (CID 7066795) is 2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline.
What is the SMILES notation for 2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline?
The canonical SMILES for 2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline is COc1cc(/C(C)=N/Nc2ccccc2C(F)(F)F)cc(OC)c1OC.
What is the InChIKey of 2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline?
The InChIKey is AYSGHSDKLLGTOR-SSDVNMTOSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-11(12-9-15(24-2)17(26-4)16(10-12)25-3)22-23-14-8-6-5-7-13(14)18(19,20)21/h5-10,23H,1-4H3/b22-11+.
What are the key properties of 2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline?
2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline has a molecular weight of 368.36 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline is sourced from PubChem (CID 7066795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).