4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline

C25H35NOSi — CID 102186692

IUPAC4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline
SMILESCOc1ccc(NC(C/C=C/CC(=C(C)C)[Si](C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C25H35NOSi/c1-20(2)25(28(4,5)6)15-11-10-14-24(21-12-8-7-9-13-21)26-22-16-18-23(27-3)19-17-22/h7-13,16-19,24,26H,14-15H2,1-6H3/b11-10+
InChIKeySBEJDANNWLMWQF-ZHACJKMWSA-N
MW393.65 g/mol
LogP7.40
Rot. Bonds9

About 4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline

4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline (PubChem CID 102186692) has the molecular formula C25H35NOSi and a molecular weight of 393.65 g/mol. Its IUPAC name is 4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline
PubChem CID102186692
Molecular FormulaC25H35NOSi
Molecular Weight393.65 g/mol
Exact Mass393.25
IUPAC Name4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline
SMILESCOc1ccc(NC(C/C=C/CC(=C(C)C)[Si](C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C25H35NOSi/c1-20(2)25(28(4,5)6)15-11-10-14-24(21-12-8-7-9-13-21)26-22-16-18-23(27-3)19-17-22/h7-13,16-19,24,26H,14-15H2,1-6H3/b11-10+
InChIKeySBEJDANNWLMWQF-ZHACJKMWSA-N
XLogP7.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.65
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline
CID 102256773
N-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline
CID 102081447
(7E,10Z)-5-(4-methoxyanilino)-11-methyl-10-trimethylsilyltrideca-7,10-dien-1-ol
CID 102186696
4-methoxy-N-(1-phenylhexyl)aniline
CID 43766012
4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride
CID 44657868
N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine
CID 150101041
4-bromo-N-[1-(4-methoxyphenyl)but-3-enyl]aniline
CID 139240301
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562
1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65385796
4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline
CID 11471240
(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol
CID 102584488
(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
CID 102174473

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline?
The IUPAC name of 4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline (CID 102186692) is 4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline?
The canonical SMILES for 4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline is COc1ccc(NC(C/C=C/CC(=C(C)C)[Si](C)(C)C)c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline?
The InChIKey is SBEJDANNWLMWQF-ZHACJKMWSA-N. The full InChI is InChI=1S/C25H35NOSi/c1-20(2)25(28(4,5)6)15-11-10-14-24(21-12-8-7-9-13-21)26-22-16-18-23(27-3)19-17-22/h7-13,16-19,24,26H,14-15H2,1-6H3/b11-10+.
What are the key properties of 4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline?
4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline has a molecular weight of 393.65 g/mol, XLogP of 7.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline is sourced from PubChem (CID 102186692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).