4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline

C32H36N2 — CID 139903306

IUPAC4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline
SMILESCCCC(c1ccc(CCc2ccc(N)cc2)cc1)c1ccc(CCc2ccc(N)cc2)cc1
InChIInChI=1S/C32H36N2/c1-2-3-32(28-16-8-24(9-17-28)4-6-26-12-20-30(33)21-13-26)29-18-10-25(11-19-29)5-7-27-14-22-31(34)23-15-27/h8-23,32H,2-7,33-34H2,1H3
InChIKeyDAIKUSSEUHOICK-UHFFFAOYSA-N
MW448.65 g/mol
LogP7.35
Rot. Bonds10

About 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline

4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline (PubChem CID 139903306) has the molecular formula C32H36N2 and a molecular weight of 448.65 g/mol. Its IUPAC name is 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline
PubChem CID139903306
Molecular FormulaC32H36N2
Molecular Weight448.65 g/mol
Exact Mass448.29
IUPAC Name4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline
SMILESCCCC(c1ccc(CCc2ccc(N)cc2)cc1)c1ccc(CCc2ccc(N)cc2)cc1
InChIInChI=1S/C32H36N2/c1-2-3-32(28-16-8-24(9-17-28)4-6-26-12-20-30(33)21-13-26)29-18-10-25(11-19-29)5-7-27-14-22-31(34)23-15-27/h8-23,32H,2-7,33-34H2,1H3
InChIKeyDAIKUSSEUHOICK-UHFFFAOYSA-N
XLogP7.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.65
LogP ≤ 57.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline?
The IUPAC name of 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline (CID 139903306) is 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline.
What is the SMILES notation for 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline?
The canonical SMILES for 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline is CCCC(c1ccc(CCc2ccc(N)cc2)cc1)c1ccc(CCc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline?
The InChIKey is DAIKUSSEUHOICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2/c1-2-3-32(28-16-8-24(9-17-28)4-6-26-12-20-30(33)21-13-26)29-18-10-25(11-19-29)5-7-27-14-22-31(34)23-15-27/h8-23,32H,2-7,33-34H2,1H3.
What are the key properties of 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline?
4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline has a molecular weight of 448.65 g/mol, XLogP of 7.35, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline is sourced from PubChem (CID 139903306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).