4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline

C40H52N2 — CID 22919612

IUPAC4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline
SMILESCCCCCCCCCC(c1ccc(C(CC)c2ccc(N)cc2)cc1)c1ccc(C(CC)c2ccc(N)cc2)cc1
InChIInChI=1S/C40H52N2/c1-4-7-8-9-10-11-12-13-40(34-18-14-30(15-19-34)38(5-2)32-22-26-36(41)27-23-32)35-20-16-31(17-21-35)39(6-3)33-24-28-37(42)29-25-33/h14-29,38-40H,4-13,41-42H2,1-3H3
InChIKeyMWKKZMVGCMLXSJ-UHFFFAOYSA-N
MW560.87 g/mol
LogP11.21
Rot. Bonds16

About 4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline

4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline (PubChem CID 22919612) has the molecular formula C40H52N2 and a molecular weight of 560.87 g/mol. Its IUPAC name is 4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline.

Molecular Properties

Compound Name4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline
PubChem CID22919612
Molecular FormulaC40H52N2
Molecular Weight560.87 g/mol
Exact Mass560.41
IUPAC Name4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline
SMILESCCCCCCCCCC(c1ccc(C(CC)c2ccc(N)cc2)cc1)c1ccc(C(CC)c2ccc(N)cc2)cc1
InChIInChI=1S/C40H52N2/c1-4-7-8-9-10-11-12-13-40(34-18-14-30(15-19-34)38(5-2)32-22-26-36(41)27-23-32)35-20-16-31(17-21-35)39(6-3)33-24-28-37(42)29-25-33/h14-29,38-40H,4-13,41-42H2,1-3H3
InChIKeyMWKKZMVGCMLXSJ-UHFFFAOYSA-N
XLogP11.21
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.87
LogP ≤ 511.21
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'}

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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-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]propyl]phenyl]pentyl]aniline
CID 22919318
4-[1-[4-[1-[4-[1-(4-aminophenyl)undecyl]phenyl]ethyl]phenyl]undecyl]aniline
CID 22921087
4-[1-(4-ethylphenyl)heptyl]aniline
CID 67687231
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-[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-[14-[4-[1-(4-aminophenyl)dodecyl]phenyl]tetradecyl]phenyl]dodecyl]aniline
CID 22921067
4-[1-[4-[13-[4-[1-(4-aminophenyl)nonyl]phenyl]tridecyl]phenyl]nonyl]aniline
CID 22920846
4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline
CID 22919933

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline?
The IUPAC name of 4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline (CID 22919612) is 4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline.
What is the SMILES notation for 4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline?
The canonical SMILES for 4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline is CCCCCCCCCC(c1ccc(C(CC)c2ccc(N)cc2)cc1)c1ccc(C(CC)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline?
The InChIKey is MWKKZMVGCMLXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H52N2/c1-4-7-8-9-10-11-12-13-40(34-18-14-30(15-19-34)38(5-2)32-22-26-36(41)27-23-32)35-20-16-31(17-21-35)39(6-3)33-24-28-37(42)29-25-33/h14-29,38-40H,4-13,41-42H2,1-3H3.
What are the key properties of 4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline?
4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline has a molecular weight of 560.87 g/mol, XLogP of 11.21, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline is sourced from PubChem (CID 22919612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).