1-[4-(2-methylphenyl)phenyl]-N-(trifluoromethoxy)ethenamine

C16H14F3NO — CID 123345524

IUPAC1-[4-(2-methylphenyl)phenyl]-N-(trifluoromethoxy)ethenamine
SMILESC=C(NOC(F)(F)F)c1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C16H14F3NO/c1-11-5-3-4-6-15(11)14-9-7-13(8-10-14)12(2)20-21-16(17,18)19/h3-10,20H,2H2,1H3
InChIKeyWWJUEKOEPDTLOD-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.67
Rot. Bonds4

About 1-[4-(2-methylphenyl)phenyl]-N-(trifluoromethoxy)ethenamine

1-[4-(2-methylphenyl)phenyl]-N-(trifluoromethoxy)ethenamine (PubChem CID 123345524) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-[4-(2-methylphenyl)phenyl]-N-(trifluoromethoxy)ethenamine.

Molecular Properties

Compound Name1-[4-(2-methylphenyl)phenyl]-N-(trifluoromethoxy)ethenamine
PubChem CID123345524
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name1-[4-(2-methylphenyl)phenyl]-N-(trifluoromethoxy)ethenamine
SMILESC=C(NOC(F)(F)F)c1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C16H14F3NO/c1-11-5-3-4-6-15(11)14-9-7-13(8-10-14)12(2)20-21-16(17,18)19/h3-10,20H,2H2,1H3
InChIKeyWWJUEKOEPDTLOD-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-(2-methylphenyl)phenyl]-N-(trifluoromethoxy)ethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Z)-1-azido-4,4,4-trifluorobut-1-enyl]-4-phenylbenzene
CID 168328805
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 56974312
N-methoxy-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 56978932
2-(4-fluorophenyl)-N-methoxy-1-phenylethenamine
CID 56985679
2-[1-[4-[4-(Trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol
CID 57068225
1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine
CID 57083862
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57099402
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57261926
N-methoxy-1-[4-(trifluoromethyl)phenyl]ethenamine
CID 57273303
N-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine
CID 57278289
3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine
CID 57310683
1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57317397

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenyl)phenyl]-N-(trifluoromethoxy)ethenamine?
The IUPAC name of 1-[4-(2-methylphenyl)phenyl]-N-(trifluoromethoxy)ethenamine (CID 123345524) is 1-[4-(2-methylphenyl)phenyl]-N-(trifluoromethoxy)ethenamine.
What is the SMILES notation for 1-[4-(2-methylphenyl)phenyl]-N-(trifluoromethoxy)ethenamine?
The canonical SMILES for 1-[4-(2-methylphenyl)phenyl]-N-(trifluoromethoxy)ethenamine is C=C(NOC(F)(F)F)c1ccc(-c2ccccc2C)cc1.
What is the InChIKey of 1-[4-(2-methylphenyl)phenyl]-N-(trifluoromethoxy)ethenamine?
The InChIKey is WWJUEKOEPDTLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-11-5-3-4-6-15(11)14-9-7-13(8-10-14)12(2)20-21-16(17,18)19/h3-10,20H,2H2,1H3.
What are the key properties of 1-[4-(2-methylphenyl)phenyl]-N-(trifluoromethoxy)ethenamine?
1-[4-(2-methylphenyl)phenyl]-N-(trifluoromethoxy)ethenamine has a molecular weight of 293.29 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenyl)phenyl]-N-(trifluoromethoxy)ethenamine is sourced from PubChem (CID 123345524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).