2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine

C19H20F3N — CID 89087487

IUPAC2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine
SMILESCCC(C)(N)c1ccc(/C=C/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3N/c1-3-18(2,23)16-10-6-14(7-11-16)4-5-15-8-12-17(13-9-15)19(20,21)22/h4-13H,3,23H2,1-2H3/b5-4+
InChIKeyRUHLOHUKSHTPNN-SNAWJCMRSA-N
MW319.37 g/mol
LogP5.46
Rot. Bonds4

About 2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine

2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine (PubChem CID 89087487) has the molecular formula C19H20F3N and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine.

Molecular Properties

Compound Name2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine
PubChem CID89087487
Molecular FormulaC19H20F3N
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine
SMILESCCC(C)(N)c1ccc(/C=C/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3N/c1-3-18(2,23)16-10-6-14(7-11-16)4-5-15-8-12-17(13-9-15)19(20,21)22/h4-13H,3,23H2,1-2H3/b5-4+
InChIKeyRUHLOHUKSHTPNN-SNAWJCMRSA-N
XLogP5.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.37
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 76576198
2-(4-tert-butylphenyl)butan-2-amine
CID 62548189
2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine
CID 70641823
1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene
CID 22975197
triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane
CID 12996059
4-[(2R)-2-aminobutan-2-yl]phenol
CID 130649235
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
butane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine
CID 143743214
1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene
CID 11148298
1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221378

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine?
The IUPAC name of 2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine (CID 89087487) is 2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine.
What is the SMILES notation for 2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine?
The canonical SMILES for 2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine is CCC(C)(N)c1ccc(/C=C/c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine?
The InChIKey is RUHLOHUKSHTPNN-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H20F3N/c1-3-18(2,23)16-10-6-14(7-11-16)4-5-15-8-12-17(13-9-15)19(20,21)22/h4-13H,3,23H2,1-2H3/b5-4+.
What are the key properties of 2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine?
2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine has a molecular weight of 319.37 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine is sourced from PubChem (CID 89087487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).