N-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline

C24H24ClNO — CID 102081447

IUPACN-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline
SMILESCOc1ccc(NC(C/C=C/Cc2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24ClNO/c1-27-23-17-15-22(16-18-23)26-24(20-11-13-21(25)14-12-20)10-6-5-9-19-7-3-2-4-8-19/h2-8,11-18,24,26H,9-10H2,1H3/b6-5+
InChIKeyAWUPHFWTVYBBPO-AATRIKPKSA-N
MW377.92 g/mol
LogP6.69
Rot. Bonds8

About N-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline

N-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline (PubChem CID 102081447) has the molecular formula C24H24ClNO and a molecular weight of 377.92 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline
PubChem CID102081447
Molecular FormulaC24H24ClNO
Molecular Weight377.92 g/mol
Exact Mass377.15
IUPAC NameN-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline
SMILESCOc1ccc(NC(C/C=C/Cc2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24ClNO/c1-27-23-17-15-22(16-18-23)26-24(20-11-13-21(25)14-12-20)10-6-5-9-19-7-3-2-4-8-19/h2-8,11-18,24,26H,9-10H2,1H3/b6-5+
InChIKeyAWUPHFWTVYBBPO-AATRIKPKSA-N
XLogP6.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 56.69
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

4-methoxy-N-[(E)-1-(4-methylphenyl)-5-phenylpent-3-enyl]aniline
CID 102256773
4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline
CID 102186692
3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 12996503
N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine
CID 150101041
N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline
CID 4712113
(2S)-2-(4-chlorophenyl)-2-(4-methoxyanilino)-1-[4-(2-phenylethyl)phenyl]ethanone
CID 175404533
4-bromo-N-[1-(4-methoxyphenyl)but-3-enyl]aniline
CID 139240301
1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65385796
4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline
CID 11471240
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
N-[1-(4-methoxyphenyl)pentyl]aniline
CID 102396772
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline (CID 102081447) is N-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline is COc1ccc(NC(C/C=C/Cc2ccccc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline?
The InChIKey is AWUPHFWTVYBBPO-AATRIKPKSA-N. The full InChI is InChI=1S/C24H24ClNO/c1-27-23-17-15-22(16-18-23)26-24(20-11-13-21(25)14-12-20)10-6-5-9-19-7-3-2-4-8-19/h2-8,11-18,24,26H,9-10H2,1H3/b6-5+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline?
N-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline has a molecular weight of 377.92 g/mol, XLogP of 6.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)-5-phenylpent-3-enyl]-4-methoxyaniline is sourced from PubChem (CID 102081447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).