4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline

C25H27NO — CID 102256773

IUPAC4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline
SMILESCOc1ccc(NC(C/C=C/Cc2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27NO/c1-20-12-14-22(15-13-20)25(26-23-16-18-24(27-2)19-17-23)11-7-6-10-21-8-4-3-5-9-21/h3-9,12-19,25-26H,10-11H2,1-2H3/b7-6+
InChIKeyNDAHIXQFTCQCFY-VOTSOKGWSA-N
MW357.50 g/mol
LogP6.35
Rot. Bonds8

About 4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline

4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline (PubChem CID 102256773) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline
PubChem CID102256773
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline
SMILESCOc1ccc(NC(C/C=C/Cc2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27NO/c1-20-12-14-22(15-13-20)25(26-23-16-18-24(27-2)19-17-23)11-7-6-10-21-8-4-3-5-9-21/h3-9,12-19,25-26H,10-11H2,1-2H3/b7-6+
InChIKeyNDAHIXQFTCQCFY-VOTSOKGWSA-N
XLogP6.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 56.35
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline
CID 102081447
4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline
CID 102186692
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
1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65385796
2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol
CID 101146915
4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline
CID 11471240
N-[1-(4-methoxyphenyl)pentyl]aniline
CID 102396772
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562
4-methoxy-N-(1-phenylhexyl)aniline
CID 43766012
[1-(4-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105190728

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline?
The IUPAC name of 4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline (CID 102256773) is 4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline?
The canonical SMILES for 4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline is COc1ccc(NC(C/C=C/Cc2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline?
The InChIKey is NDAHIXQFTCQCFY-VOTSOKGWSA-N. The full InChI is InChI=1S/C25H27NO/c1-20-12-14-22(15-13-20)25(26-23-16-18-24(27-2)19-17-23)11-7-6-10-21-8-4-3-5-9-21/h3-9,12-19,25-26H,10-11H2,1-2H3/b7-6+.
What are the key properties of 4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline?
4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline has a molecular weight of 357.50 g/mol, XLogP of 6.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline is sourced from PubChem (CID 102256773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).