N,N-dimethyl-2-[4-[(E)-2-[4-(1,2,2-trifluoroethenoxy)phenyl]ethenyl]phenyl]aniline

C24H20F3NO — CID 18990464

IUPACN,N-dimethyl-2-[4-[(E)-2-[4-(1,2,2-trifluoroethenoxy)phenyl]ethenyl]phenyl]aniline
SMILESCN(C)c1ccccc1-c1ccc(/C=C/c2ccc(OC(F)=C(F)F)cc2)cc1
InChIInChI=1S/C24H20F3NO/c1-28(2)22-6-4-3-5-21(22)19-13-9-17(10-14-19)7-8-18-11-15-20(16-12-18)29-24(27)23(25)26/h3-16H,1-2H3/b8-7+
InChIKeyIKOQQPQDJMFOGM-BQYQJAHWSA-N
MW395.42 g/mol
LogP7.00
Rot. Bonds6

About N,N-dimethyl-2-[4-[(E)-2-[4-(1,2,2-trifluoroethenoxy)phenyl]ethenyl]phenyl]aniline

N,N-dimethyl-2-[4-[(E)-2-[4-(1,2,2-trifluoroethenoxy)phenyl]ethenyl]phenyl]aniline (PubChem CID 18990464) has the molecular formula C24H20F3NO and a molecular weight of 395.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[(E)-2-[4-(1,2,2-trifluoroethenoxy)phenyl]ethenyl]phenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[(E)-2-[4-(1,2,2-trifluoroethenoxy)phenyl]ethenyl]phenyl]aniline
PubChem CID18990464
Molecular FormulaC24H20F3NO
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC NameN,N-dimethyl-2-[4-[(E)-2-[4-(1,2,2-trifluoroethenoxy)phenyl]ethenyl]phenyl]aniline
SMILESCN(C)c1ccccc1-c1ccc(/C=C/c2ccc(OC(F)=C(F)F)cc2)cc1
InChIInChI=1S/C24H20F3NO/c1-28(2)22-6-4-3-5-21(22)19-13-9-17(10-14-19)7-8-18-11-15-20(16-12-18)29-24(27)23(25)26/h3-16H,1-2H3/b8-7+
InChIKeyIKOQQPQDJMFOGM-BQYQJAHWSA-N
XLogP7.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one
CID 66673920
4-(1,2,2-trifluoroethenoxy)benzaldehyde
CID 22227324
azane;N,N-dimethyl-2-phenylaniline
CID 162317872
1-(4-methoxyphenyl)-5-[4-(1,2,2-trifluoroethenoxy)phenyl]penta-1,4-dien-3-one
CID 54520299
1-(4-acetylphenyl)-3-[4-(1,2,2-trifluoroethenoxy)phenyl]prop-2-en-1-one
CID 57234047
3-[2-(dimethylamino)phenyl]benzaldehyde
CID 82107320
4-[3-oxo-5-[4-(1,2,2-trifluoroethenoxy)phenyl]penta-1,4-dienyl]benzoic acid
CID 54190482
2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid
CID 82107346
2-[2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline
CID 53425877
3-[4-(1,2,2-trifluoroethenoxy)phenyl]phenol
CID 58776079
N,2-diphenyl-N-[4-[(E)-2-phenylethenyl]phenyl]aniline
CID 59705555
1-(4-aminophenyl)-3-[4-(1,2,2-trifluoroethenoxy)phenyl]prop-2-en-1-one
CID 57066483

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[(E)-2-[4-(1,2,2-trifluoroethenoxy)phenyl]ethenyl]phenyl]aniline?
The IUPAC name of N,N-dimethyl-2-[4-[(E)-2-[4-(1,2,2-trifluoroethenoxy)phenyl]ethenyl]phenyl]aniline (CID 18990464) is N,N-dimethyl-2-[4-[(E)-2-[4-(1,2,2-trifluoroethenoxy)phenyl]ethenyl]phenyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[4-[(E)-2-[4-(1,2,2-trifluoroethenoxy)phenyl]ethenyl]phenyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[4-[(E)-2-[4-(1,2,2-trifluoroethenoxy)phenyl]ethenyl]phenyl]aniline is CN(C)c1ccccc1-c1ccc(/C=C/c2ccc(OC(F)=C(F)F)cc2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[(E)-2-[4-(1,2,2-trifluoroethenoxy)phenyl]ethenyl]phenyl]aniline?
The InChIKey is IKOQQPQDJMFOGM-BQYQJAHWSA-N. The full InChI is InChI=1S/C24H20F3NO/c1-28(2)22-6-4-3-5-21(22)19-13-9-17(10-14-19)7-8-18-11-15-20(16-12-18)29-24(27)23(25)26/h3-16H,1-2H3/b8-7+.
What are the key properties of N,N-dimethyl-2-[4-[(E)-2-[4-(1,2,2-trifluoroethenoxy)phenyl]ethenyl]phenyl]aniline?
N,N-dimethyl-2-[4-[(E)-2-[4-(1,2,2-trifluoroethenoxy)phenyl]ethenyl]phenyl]aniline has a molecular weight of 395.42 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[(E)-2-[4-(1,2,2-trifluoroethenoxy)phenyl]ethenyl]phenyl]aniline is sourced from PubChem (CID 18990464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).