4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline

C24H33NO — CID 138518680

IUPAC4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline
SMILESCCCCCCCCN(C/C=C/c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C24H33NO/c1-3-4-5-6-7-11-20-25(23-16-18-24(26-2)19-17-23)21-12-15-22-13-9-8-10-14-22/h8-10,12-19H,3-7,11,20-21H2,1-2H3/b15-12+
InChIKeyZBJTZWLHBUYMDK-NTCAYCPXSA-N
MW351.53 g/mol
LogP6.58
Rot. Bonds12

About 4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline

4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline (PubChem CID 138518680) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline
PubChem CID138518680
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline
SMILESCCCCCCCCN(C/C=C/c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C24H33NO/c1-3-4-5-6-7-11-20-25(23-16-18-24(26-2)19-17-23)21-12-15-22-13-9-8-10-14-22/h8-10,12-19H,3-7,11,20-21H2,1-2H3/b15-12+
InChIKeyZBJTZWLHBUYMDK-NTCAYCPXSA-N
XLogP6.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline
CID 154621294
N-decyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxyaniline
CID 154621173
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-N-octylaniline
CID 138518689
4-methoxy-N-pentyl-N-phenylaniline
CID 174868120
N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline
CID 154621195
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline
CID 67935322
N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride
CID 173290020
4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline
CID 10617075
N-octadecyl-N-(4-phenylbut-3-enyl)octadecan-1-amine
CID 54387361
N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline
CID 138518679

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline?
The IUPAC name of 4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline (CID 138518680) is 4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline.
What is the SMILES notation for 4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline?
The canonical SMILES for 4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline is CCCCCCCCN(C/C=C/c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline?
The InChIKey is ZBJTZWLHBUYMDK-NTCAYCPXSA-N. The full InChI is InChI=1S/C24H33NO/c1-3-4-5-6-7-11-20-25(23-16-18-24(26-2)19-17-23)21-12-15-22-13-9-8-10-14-22/h8-10,12-19H,3-7,11,20-21H2,1-2H3/b15-12+.
What are the key properties of 4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline?
4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline has a molecular weight of 351.53 g/mol, XLogP of 6.58, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline is sourced from PubChem (CID 138518680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).