N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline

C18H20F3N3 — CID 164880427

IUPACN,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline
SMILESCCN(CC)c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H20F3N3/c1-3-24(4-2)17-11-5-14(6-12-17)13-22-23-16-9-7-15(8-10-16)18(19,20)21/h5-13,23H,3-4H2,1-2H3/b22-13+
InChIKeyYOGHZKYDMVBNKR-LPYMAVHISA-N
MW335.37 g/mol
LogP5.00
Rot. Bonds6

About N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline

N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline (PubChem CID 164880427) has the molecular formula C18H20F3N3 and a molecular weight of 335.37 g/mol. Its IUPAC name is N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline
PubChem CID164880427
Molecular FormulaC18H20F3N3
Molecular Weight335.37 g/mol
Exact Mass335.16
IUPAC NameN,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline
SMILESCCN(CC)c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H20F3N3/c1-3-24(4-2)17-11-5-14(6-12-17)13-22-23-16-9-7-15(8-10-16)18(19,20)21/h5-13,23H,3-4H2,1-2H3/b22-13+
InChIKeyYOGHZKYDMVBNKR-LPYMAVHISA-N
XLogP5.00
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline
CID 110506082
N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841973
4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 7933215
3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline
CID 78576663
2-N,3-N-bis[[4-(diethylamino)phenyl]methylideneamino]quinoxaline-2,3-diamine
CID 3339070
N-[[4-(diethylamino)phenyl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 2353577
4-[2-[[4-[ethyl(4-hydroxybutyl)amino]phenyl]methylidene]hydrazinyl]benzoic acid
CID 164863185
2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid
CID 6013982
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790
1,3-bis[[4-(diethylamino)phenyl]methylideneamino]thiourea
CID 5125504

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline?
The IUPAC name of N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline (CID 164880427) is N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline is CCN(CC)c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline?
The InChIKey is YOGHZKYDMVBNKR-LPYMAVHISA-N. The full InChI is InChI=1S/C18H20F3N3/c1-3-24(4-2)17-11-5-14(6-12-17)13-22-23-16-9-7-15(8-10-16)18(19,20)21/h5-13,23H,3-4H2,1-2H3/b22-13+.
What are the key properties of N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline?
N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline has a molecular weight of 335.37 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline is sourced from PubChem (CID 164880427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).