(1E,3E)-N-ethenyl-2-(1-ethoxyethenyl)-5-(4-fluorophenyl)-4-methyl-1-phenylpenta-1,3-dien-1-amine

C24H26FNO — CID 129100578

IUPAC(1E,3E)-N-ethenyl-2-(1-ethoxyethenyl)-5-(4-fluorophenyl)-4-methyl-1-phenylpenta-1,3-dien-1-amine
SMILESC=CN/C(=C(\C=C(/C)Cc1ccc(F)cc1)C(=C)OCC)c1ccccc1
InChIInChI=1S/C24H26FNO/c1-5-26-24(21-10-8-7-9-11-21)23(19(4)27-6-2)17-18(3)16-20-12-14-22(25)15-13-20/h5,7-15,17,26H,1,4,6,16H2,2-3H3/b18-17+,24-23+
InChIKeyRBLORNQLNLESLK-QZOSNYCWSA-N
MW363.48 g/mol
LogP6.01
Rot. Bonds9

About (1E,3E)-N-ethenyl-2-(1-ethoxyethenyl)-5-(4-fluorophenyl)-4-methyl-1-phenylpenta-1,3-dien-1-amine

(1E,3E)-N-ethenyl-2-(1-ethoxyethenyl)-5-(4-fluorophenyl)-4-methyl-1-phenylpenta-1,3-dien-1-amine (PubChem CID 129100578) has the molecular formula C24H26FNO and a molecular weight of 363.48 g/mol. Its IUPAC name is (1E,3E)-N-ethenyl-2-(1-ethoxyethenyl)-5-(4-fluorophenyl)-4-methyl-1-phenylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-N-ethenyl-2-(1-ethoxyethenyl)-5-(4-fluorophenyl)-4-methyl-1-phenylpenta-1,3-dien-1-amine
PubChem CID129100578
Molecular FormulaC24H26FNO
Molecular Weight363.48 g/mol
Exact Mass363.20
IUPAC Name(1E,3E)-N-ethenyl-2-(1-ethoxyethenyl)-5-(4-fluorophenyl)-4-methyl-1-phenylpenta-1,3-dien-1-amine
SMILESC=CN/C(=C(\C=C(/C)Cc1ccc(F)cc1)C(=C)OCC)c1ccccc1
InChIInChI=1S/C24H26FNO/c1-5-26-24(21-10-8-7-9-11-21)23(19(4)27-6-2)17-18(3)16-20-12-14-22(25)15-13-20/h5,7-15,17,26H,1,4,6,16H2,2-3H3/b18-17+,24-23+
InChIKeyRBLORNQLNLESLK-QZOSNYCWSA-N
XLogP6.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-N-ethenyl-2-(1-ethoxyethenyl)-5-(4-fluorophenyl)-4-methyl-1-phenylpenta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-N-ethenyl-2-(1-ethoxyethenyl)-5-(4-fluorophenyl)-4-methyl-1-phenylpenta-1,3-dien-1-amine (CID 129100578) is (1E,3E)-N-ethenyl-2-(1-ethoxyethenyl)-5-(4-fluorophenyl)-4-methyl-1-phenylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-N-ethenyl-2-(1-ethoxyethenyl)-5-(4-fluorophenyl)-4-methyl-1-phenylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-N-ethenyl-2-(1-ethoxyethenyl)-5-(4-fluorophenyl)-4-methyl-1-phenylpenta-1,3-dien-1-amine is C=CN/C(=C(\C=C(/C)Cc1ccc(F)cc1)C(=C)OCC)c1ccccc1.
What is the InChIKey of (1E,3E)-N-ethenyl-2-(1-ethoxyethenyl)-5-(4-fluorophenyl)-4-methyl-1-phenylpenta-1,3-dien-1-amine?
The InChIKey is RBLORNQLNLESLK-QZOSNYCWSA-N. The full InChI is InChI=1S/C24H26FNO/c1-5-26-24(21-10-8-7-9-11-21)23(19(4)27-6-2)17-18(3)16-20-12-14-22(25)15-13-20/h5,7-15,17,26H,1,4,6,16H2,2-3H3/b18-17+,24-23+.
What are the key properties of (1E,3E)-N-ethenyl-2-(1-ethoxyethenyl)-5-(4-fluorophenyl)-4-methyl-1-phenylpenta-1,3-dien-1-amine?
(1E,3E)-N-ethenyl-2-(1-ethoxyethenyl)-5-(4-fluorophenyl)-4-methyl-1-phenylpenta-1,3-dien-1-amine has a molecular weight of 363.48 g/mol, XLogP of 6.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-N-ethenyl-2-(1-ethoxyethenyl)-5-(4-fluorophenyl)-4-methyl-1-phenylpenta-1,3-dien-1-amine is sourced from PubChem (CID 129100578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).