N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline

C16H16F3N3 — CID 6187772

IUPACN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline
SMILESCN(C)c1ccc(/C=N\Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3/c1-22(2)13-9-7-12(8-10-13)11-20-21-15-6-4-3-5-14(15)16(17,18)19/h3-11,21H,1-2H3/b20-11-
InChIKeyPNKFQYAGTWKGDU-JAIQZWGSSA-N
MW307.32 g/mol
LogP4.22
Rot. Bonds4

About N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline

N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline (PubChem CID 6187772) has the molecular formula C16H16F3N3 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline
PubChem CID6187772
Molecular FormulaC16H16F3N3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline
SMILESCN(C)c1ccc(/C=N\Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3/c1-22(2)13-9-7-12(8-10-13)11-20-21-15-6-4-3-5-14(15)16(17,18)19/h3-11,21H,1-2H3/b20-11-
InChIKeyPNKFQYAGTWKGDU-JAIQZWGSSA-N
XLogP4.22
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.22
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

N-[(Z)-benzylideneamino]-2-(trifluoromethyl)aniline
CID 6305730
2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 3511340
N-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-1-amine
CID 50885946
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline
CID 71145987
4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 7955579
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline
CID 3976623
3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid
CID 59021950
1-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 7934474
N-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-2-amine
CID 70584569
3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135819465
2-nitro-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135622227
2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline
CID 3290055

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline (CID 6187772) is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline is CN(C)c1ccc(/C=N\Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline?
The InChIKey is PNKFQYAGTWKGDU-JAIQZWGSSA-N. The full InChI is InChI=1S/C16H16F3N3/c1-22(2)13-9-7-12(8-10-13)11-20-21-15-6-4-3-5-14(15)16(17,18)19/h3-11,21H,1-2H3/b20-11-.
What are the key properties of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline?
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline has a molecular weight of 307.32 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 6187772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).