4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline

C47H66N2 — CID 22919336

IUPAC4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline
SMILESCCCC(c1ccc(N)cc1)c1ccc(CCCCCCCCCCCCCCCc2ccc(C(CCC)c3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C47H66N2/c1-3-18-46(42-30-34-44(48)35-31-42)40-26-22-38(23-27-40)20-16-14-12-10-8-6-5-7-9-11-13-15-17-21-39-24-28-41(29-25-39)47(19-4-2)43-32-36-45(49)37-33-43/h22-37,46-47H,3-21,48-49H2,1-2H3
InChIKeyWLVIROJLUBMUKM-UHFFFAOYSA-N
MW659.06 g/mol
LogP13.57
Rot. Bonds24

About 4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline

4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline (PubChem CID 22919336) has the molecular formula C47H66N2 and a molecular weight of 659.06 g/mol. Its IUPAC name is 4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline.

Molecular Properties

Compound Name4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline
PubChem CID22919336
Molecular FormulaC47H66N2
Molecular Weight659.06 g/mol
Exact Mass658.52
IUPAC Name4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline
SMILESCCCC(c1ccc(N)cc1)c1ccc(CCCCCCCCCCCCCCCc2ccc(C(CCC)c3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C47H66N2/c1-3-18-46(42-30-34-44(48)35-31-42)40-26-22-38(23-27-40)20-16-14-12-10-8-6-5-7-9-11-13-15-17-21-39-24-28-41(29-25-39)47(19-4-2)43-32-36-45(49)37-33-43/h22-37,46-47H,3-21,48-49H2,1-2H3
InChIKeyWLVIROJLUBMUKM-UHFFFAOYSA-N
XLogP13.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.06
LogP ≤ 513.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline 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-[11-[4-[1-(4-aminophenyl)pentyl]phenyl]undecyl]phenyl]pentyl]aniline
CID 22919313
4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline
CID 139903306
4-[1-[4-[13-[4-[1-(4-aminophenyl)nonyl]phenyl]tridecyl]phenyl]nonyl]aniline
CID 22920846
4-[1-[4-[18-[4-[1-(4-aminophenyl)hexyl]phenyl]octadecyl]phenyl]hexyl]aniline
CID 22919132
4-[1-[4-[12-[4-[1-(4-aminophenyl)decyl]phenyl]dodecyl]phenyl]decyl]aniline
CID 22921197
4-[1-[4-[14-[4-[1-(4-aminophenyl)dodecyl]phenyl]tetradecyl]phenyl]dodecyl]aniline
CID 22921067
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-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline
CID 22919933
1-hexadecyl-4-[1-(4-hexadecylphenyl)hexadecyl]benzene
CID 21436596
4-hexadecylaniline
CID 571906
4-dodecylaniline;nonadecane
CID 155059812

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline?
The IUPAC name of 4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline (CID 22919336) is 4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline.
What is the SMILES notation for 4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline?
The canonical SMILES for 4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline is CCCC(c1ccc(N)cc1)c1ccc(CCCCCCCCCCCCCCCc2ccc(C(CCC)c3ccc(N)cc3)cc2)cc1.
What is the InChIKey of 4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline?
The InChIKey is WLVIROJLUBMUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H66N2/c1-3-18-46(42-30-34-44(48)35-31-42)40-26-22-38(23-27-40)20-16-14-12-10-8-6-5-7-9-11-13-15-17-21-39-24-28-41(29-25-39)47(19-4-2)43-32-36-45(49)37-33-43/h22-37,46-47H,3-21,48-49H2,1-2H3.
What are the key properties of 4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline?
4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline has a molecular weight of 659.06 g/mol, XLogP of 13.57, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline is sourced from PubChem (CID 22919336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).