4-[1-(4-ethylphenyl)heptyl]aniline

C21H29N — CID 67687231

IUPAC4-[1-(4-ethylphenyl)heptyl]aniline
SMILESCCCCCCC(c1ccc(N)cc1)c1ccc(CC)cc1
InChIInChI=1S/C21H29N/c1-3-5-6-7-8-21(19-13-15-20(22)16-14-19)18-11-9-17(4-2)10-12-18/h9-16,21H,3-8,22H2,1-2H3
InChIKeyCPMSELVWISJUBM-UHFFFAOYSA-N
MW295.47 g/mol
LogP5.93
Rot. Bonds8

About 4-[1-(4-ethylphenyl)heptyl]aniline

4-[1-(4-ethylphenyl)heptyl]aniline (PubChem CID 67687231) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-[1-(4-ethylphenyl)heptyl]aniline.

Molecular Properties

Compound Name4-[1-(4-ethylphenyl)heptyl]aniline
PubChem CID67687231
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name4-[1-(4-ethylphenyl)heptyl]aniline
SMILESCCCCCCC(c1ccc(N)cc1)c1ccc(CC)cc1
InChIInChI=1S/C21H29N/c1-3-5-6-7-8-21(19-13-15-20(22)16-14-19)18-11-9-17(4-2)10-12-18/h9-16,21H,3-8,22H2,1-2H3
InChIKeyCPMSELVWISJUBM-UHFFFAOYSA-N
XLogP5.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline
CID 22919999
4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline
CID 22920190
4-[1-[4-[14-[4-[1-(4-aminophenyl)dodecyl]phenyl]tetradecyl]phenyl]dodecyl]aniline
CID 22921067
4-[1-[4-[12-[4-[1-(4-aminophenyl)decyl]phenyl]dodecyl]phenyl]decyl]aniline
CID 22921197
4-[1-[4-[18-[4-[1-(4-aminophenyl)hexyl]phenyl]octadecyl]phenyl]hexyl]aniline
CID 22919132
4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline
CID 22919480
4-[1-[4-[5-[4-[1-(4-aminophenyl)hexyl]phenyl]pentyl]phenyl]hexyl]aniline
CID 22920456
4-[1-[4-[13-[4-[1-(4-aminophenyl)nonyl]phenyl]tridecyl]phenyl]nonyl]aniline
CID 22920846
4-[1-[4-[1-[4-[1-(4-aminophenyl)undecyl]phenyl]ethyl]phenyl]undecyl]aniline
CID 22921087
4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline
CID 22919612
4-[1-[4-[2-[[4-[1-(4-aminophenyl)tridecyl]phenyl]methyl]heptyl]phenyl]tridecyl]aniline
CID 22920012
4-[1-[4-[2-[[4-[1-(4-aminophenyl)dodecyl]phenyl]methyl]nonyl]phenyl]dodecyl]aniline
CID 22920744

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethylphenyl)heptyl]aniline?
The IUPAC name of 4-[1-(4-ethylphenyl)heptyl]aniline (CID 67687231) is 4-[1-(4-ethylphenyl)heptyl]aniline.
What is the SMILES notation for 4-[1-(4-ethylphenyl)heptyl]aniline?
The canonical SMILES for 4-[1-(4-ethylphenyl)heptyl]aniline is CCCCCCC(c1ccc(N)cc1)c1ccc(CC)cc1.
What is the InChIKey of 4-[1-(4-ethylphenyl)heptyl]aniline?
The InChIKey is CPMSELVWISJUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-3-5-6-7-8-21(19-13-15-20(22)16-14-19)18-11-9-17(4-2)10-12-18/h9-16,21H,3-8,22H2,1-2H3.
What are the key properties of 4-[1-(4-ethylphenyl)heptyl]aniline?
4-[1-(4-ethylphenyl)heptyl]aniline has a molecular weight of 295.47 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethylphenyl)heptyl]aniline is sourced from PubChem (CID 67687231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).