4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline

C24H36N2 — CID 22753054

IUPAC4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline
SMILESCCCCCC(c1ccc(N)cc1)c1cc(CCC)c(N)c(CCC)c1
InChIInChI=1S/C24H36N2/c1-4-7-8-11-23(18-12-14-22(25)15-13-18)21-16-19(9-5-2)24(26)20(17-21)10-6-3/h12-17,23H,4-11,25-26H2,1-3H3
InChIKeyAWDBFJGYZLLKPL-UHFFFAOYSA-N
MW352.57 g/mol
LogP6.47
Rot. Bonds10

About 4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline

4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline (PubChem CID 22753054) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is 4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline.

Molecular Properties

Compound Name4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline
PubChem CID22753054
Molecular FormulaC24H36N2
Molecular Weight352.57 g/mol
Exact Mass352.29
IUPAC Name4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline
SMILESCCCCCC(c1ccc(N)cc1)c1cc(CCC)c(N)c(CCC)c1
InChIInChI=1S/C24H36N2/c1-4-7-8-11-23(18-12-14-22(25)15-13-18)21-16-19(9-5-2)24(26)20(17-21)10-6-3/h12-17,23H,4-11,25-26H2,1-3H3
InChIKeyAWDBFJGYZLLKPL-UHFFFAOYSA-N
XLogP6.47
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.57
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline
CID 22919612
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)butyl]phenyl]pentyl]phenyl]butyl]aniline
CID 22919933
4-[1-(4-ethylphenyl)heptyl]aniline
CID 67687231

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline?
The IUPAC name of 4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline (CID 22753054) is 4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline.
What is the SMILES notation for 4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline?
The canonical SMILES for 4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline is CCCCCC(c1ccc(N)cc1)c1cc(CCC)c(N)c(CCC)c1.
What is the InChIKey of 4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline?
The InChIKey is AWDBFJGYZLLKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2/c1-4-7-8-11-23(18-12-14-22(25)15-13-18)21-16-19(9-5-2)24(26)20(17-21)10-6-3/h12-17,23H,4-11,25-26H2,1-3H3.
What are the key properties of 4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline?
4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline has a molecular weight of 352.57 g/mol, XLogP of 6.47, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline is sourced from PubChem (CID 22753054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).