(E)-4,4,4-trifluoro-N-methoxy-3-(4-methoxyphenyl)-N-methyl-1,1-diphenylbut-2-en-1-amine

C25H24F3NO2 — CID 101424648

IUPAC(E)-4,4,4-trifluoro-N-methoxy-3-(4-methoxyphenyl)-N-methyl-1,1-diphenylbut-2-en-1-amine
SMILESCOc1ccc(/C(=C\C(c2ccccc2)(c2ccccc2)N(C)OC)C(F)(F)F)cc1
InChIInChI=1S/C25H24F3NO2/c1-29(31-3)24(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-23(25(26,27)28)19-14-16-22(30-2)17-15-19/h4-18H,1-3H3/b23-18+
InChIKeyVVTQJZVLMCIORS-PTGBLXJZSA-N
MW427.47 g/mol
LogP6.08
Rot. Bonds7

About (E)-4,4,4-trifluoro-N-methoxy-3-(4-methoxyphenyl)-N-methyl-1,1-diphenylbut-2-en-1-amine

(E)-4,4,4-trifluoro-N-methoxy-3-(4-methoxyphenyl)-N-methyl-1,1-diphenylbut-2-en-1-amine (PubChem CID 101424648) has the molecular formula C25H24F3NO2 and a molecular weight of 427.47 g/mol. Its IUPAC name is (E)-4,4,4-trifluoro-N-methoxy-3-(4-methoxyphenyl)-N-methyl-1,1-diphenylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4,4,4-trifluoro-N-methoxy-3-(4-methoxyphenyl)-N-methyl-1,1-diphenylbut-2-en-1-amine
PubChem CID101424648
Molecular FormulaC25H24F3NO2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name(E)-4,4,4-trifluoro-N-methoxy-3-(4-methoxyphenyl)-N-methyl-1,1-diphenylbut-2-en-1-amine
SMILESCOc1ccc(/C(=C\C(c2ccccc2)(c2ccccc2)N(C)OC)C(F)(F)F)cc1
InChIInChI=1S/C25H24F3NO2/c1-29(31-3)24(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-23(25(26,27)28)19-14-16-22(30-2)17-15-19/h4-18H,1-3H3/b23-18+
InChIKeyVVTQJZVLMCIORS-PTGBLXJZSA-N
XLogP6.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4,4,4-trifluoro-N-methoxy-3-(4-methoxyphenyl)-N-methyl-1,1-diphenylbut-2-en-1-amine with MolForge

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Related Compounds

Amotriphene
CID 11283
3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(1-phenylethyl)propan-1-amine
CID 3915903
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CID 4017415
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine
CID 5105544
(2-(4-(trifluoromethoxy)benzyl)phenyl)-N,N-dimethylmethanamine
CID 44568692
4,4-Difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine
CID 134150651
4,4-Difluoro-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine
CID 134151773
N-benzyl-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 4359400
1-[(4-Methoxyphenyl)-diphenylmethyl]piperidine
CID 58455166
1-(4-methoxyphenyl)-N,N-dimethyl-1,1-diphenylmethanamine
CID 70682683
N-ethyl-N-[(4-methoxyphenyl)-diphenylmethyl]ethanamine
CID 70697308
N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-3,3-diphenylprop-2-en-1-amine
CID 155690028

Frequently Asked Questions

What is the IUPAC name of (E)-4,4,4-trifluoro-N-methoxy-3-(4-methoxyphenyl)-N-methyl-1,1-diphenylbut-2-en-1-amine?
The IUPAC name of (E)-4,4,4-trifluoro-N-methoxy-3-(4-methoxyphenyl)-N-methyl-1,1-diphenylbut-2-en-1-amine (CID 101424648) is (E)-4,4,4-trifluoro-N-methoxy-3-(4-methoxyphenyl)-N-methyl-1,1-diphenylbut-2-en-1-amine.
What is the SMILES notation for (E)-4,4,4-trifluoro-N-methoxy-3-(4-methoxyphenyl)-N-methyl-1,1-diphenylbut-2-en-1-amine?
The canonical SMILES for (E)-4,4,4-trifluoro-N-methoxy-3-(4-methoxyphenyl)-N-methyl-1,1-diphenylbut-2-en-1-amine is COc1ccc(/C(=C\C(c2ccccc2)(c2ccccc2)N(C)OC)C(F)(F)F)cc1.
What is the InChIKey of (E)-4,4,4-trifluoro-N-methoxy-3-(4-methoxyphenyl)-N-methyl-1,1-diphenylbut-2-en-1-amine?
The InChIKey is VVTQJZVLMCIORS-PTGBLXJZSA-N. The full InChI is InChI=1S/C25H24F3NO2/c1-29(31-3)24(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-23(25(26,27)28)19-14-16-22(30-2)17-15-19/h4-18H,1-3H3/b23-18+.
What are the key properties of (E)-4,4,4-trifluoro-N-methoxy-3-(4-methoxyphenyl)-N-methyl-1,1-diphenylbut-2-en-1-amine?
(E)-4,4,4-trifluoro-N-methoxy-3-(4-methoxyphenyl)-N-methyl-1,1-diphenylbut-2-en-1-amine has a molecular weight of 427.47 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,4-trifluoro-N-methoxy-3-(4-methoxyphenyl)-N-methyl-1,1-diphenylbut-2-en-1-amine is sourced from PubChem (CID 101424648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).