N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline

C16H15F3N2 — CID 110841973

IUPACN-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline
SMILESCCc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H15F3N2/c1-2-12-3-5-13(6-4-12)11-20-21-15-9-7-14(8-10-15)16(17,18)19/h3-11,21H,2H2,1H3
InChIKeyUUPFOJVUMBMKPF-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.71
Rot. Bonds4

About N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline

N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline (PubChem CID 110841973) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline
PubChem CID110841973
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC NameN-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline
SMILESCCc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H15F3N2/c1-2-12-3-5-13(6-4-12)11-20-21-15-9-7-14(8-10-15)16(17,18)19/h3-11,21H,2H2,1H3
InChIKeyUUPFOJVUMBMKPF-UHFFFAOYSA-N
XLogP4.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline
CID 164880427
4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 76576198
1-ethyl-4-(trifluoromethyl)benzene;4-(trifluoromethyl)benzaldehyde;(NE)-N-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 172950776
N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline
CID 110505055
2-[(1R)-1-[4-[(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]ethyl]phenol
CID 177497941
4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790
2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 134097959
N-[(3,5-dichloro-4-propoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841966
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide
CID 174961803
N-[(3-bromo-4,5-diethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841950

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline (CID 110841973) is N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline is CCc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline?
The InChIKey is UUPFOJVUMBMKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2/c1-2-12-3-5-13(6-4-12)11-20-21-15-9-7-14(8-10-15)16(17,18)19/h3-11,21H,2H2,1H3.
What are the key properties of N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline?
N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline has a molecular weight of 292.30 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 110841973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).