N,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline

C20H17F3N2 — CID 71653668

IUPACN,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline
SMILESCN(C)c1ccc(/C=C/c2ccc3cc(C(F)(F)F)ccc3n2)cc1
InChIInChI=1S/C20H17F3N2/c1-25(2)18-10-4-14(5-11-18)3-8-17-9-6-15-13-16(20(21,22)23)7-12-19(15)24-17/h3-13H,1-2H3/b8-3+
InChIKeyLQRAECYTKKCHNT-FPYGCLRLSA-N
MW342.36 g/mol
LogP5.49
Rot. Bonds3

About N,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline

N,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline (PubChem CID 71653668) has the molecular formula C20H17F3N2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline
PubChem CID71653668
Molecular FormulaC20H17F3N2
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline
SMILESCN(C)c1ccc(/C=C/c2ccc3cc(C(F)(F)F)ccc3n2)cc1
InChIInChI=1S/C20H17F3N2/c1-25(2)18-10-4-14(5-11-18)3-8-17-9-6-15-13-16(20(21,22)23)7-12-19(15)24-17/h3-13H,1-2H3/b8-3+
InChIKeyLQRAECYTKKCHNT-FPYGCLRLSA-N
XLogP5.49
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.36
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline
CID 40700748
6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline
CID 166708097
N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride
CID 6508810
4-[(1E,3E)-4-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]quinolin-6-yl]buta-1,3-dienyl]-N,N-dimethylaniline
CID 20724558
4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline
CID 7085505
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline
CID 6300604
4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyrimidin-4-yl]ethenyl]-N,N-dimethylaniline
CID 42643531
6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline
CID 56649871
4-[(E)-2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyrazin-2-yl]ethenyl]-N,N-dimethylaniline
CID 50936651
4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline
CID 53315199

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline (CID 71653668) is N,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline is CN(C)c1ccc(/C=C/c2ccc3cc(C(F)(F)F)ccc3n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline?
The InChIKey is LQRAECYTKKCHNT-FPYGCLRLSA-N. The full InChI is InChI=1S/C20H17F3N2/c1-25(2)18-10-4-14(5-11-18)3-8-17-9-6-15-13-16(20(21,22)23)7-12-19(15)24-17/h3-13H,1-2H3/b8-3+.
What are the key properties of N,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline?
N,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline has a molecular weight of 342.36 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline is sourced from PubChem (CID 71653668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).