4-[4-[1-[4-(4-Aminophenoxy)phenyl]-1-cyclohexylbutyl]phenoxy]aniline

C34H38N2O2 — CID 70291666

IUPAC4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-cyclohexylbutyl]phenoxy]aniline
SMILESCCCC(C1CCCCC1)(C2=CC=C(C=C2)OC3=CC=C(C=C3)N)C4=CC=C(C=C4)OC5=CC=C(C=C5)N
InChIInChI=1S/C34H38N2O2/c1-2-24-34(25-6-4-3-5-7-25,26-8-16-30(17-9-26)37-32-20-12-28(35)13-21-32)27-10-18-31(19-11-27)38-33-22-14-29(36)15-23-33/h8-23,25H,2-7,24,35-36H2,1H3
InChIKeyJYOXJAHRDKOOAY-UHFFFAOYSA-N
MW506.70 g/mol
LogP9.70
Rot. Bonds9

About 4-[4-[1-[4-(4-Aminophenoxy)phenyl]-1-cyclohexylbutyl]phenoxy]aniline

4-[4-[1-[4-(4-Aminophenoxy)phenyl]-1-cyclohexylbutyl]phenoxy]aniline (PubChem CID 70291666) has the molecular formula C34H38N2O2 and a molecular weight of 506.70 g/mol. Its IUPAC name is 4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-cyclohexylbutyl]phenoxy]aniline.

Molecular Properties

Compound Name4-[4-[1-[4-(4-Aminophenoxy)phenyl]-1-cyclohexylbutyl]phenoxy]aniline
PubChem CID70291666
Molecular FormulaC34H38N2O2
Molecular Weight506.70 g/mol
Exact Mass506.29
IUPAC Name4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-cyclohexylbutyl]phenoxy]aniline
SMILESCCCC(C1CCCCC1)(C2=CC=C(C=C2)OC3=CC=C(C=C3)N)C4=CC=C(C=C4)OC5=CC=C(C=C5)N
InChIInChI=1S/C34H38N2O2/c1-2-24-34(25-6-4-3-5-7-25,26-8-16-30(17-9-26)37-32-20-12-28(35)13-21-32)27-10-18-31(19-11-27)38-33-22-14-29(36)15-23-33/h8-23,25H,2-7,24,35-36H2,1H3
InChIKeyJYOXJAHRDKOOAY-UHFFFAOYSA-N
XLogP9.70
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity618

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.70
LogP ≤ 59.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-[1-[4-(4-Aminophenoxy)phenyl]-1-cyclohexylbutyl]phenoxy]aniline?
The IUPAC name of 4-[4-[1-[4-(4-Aminophenoxy)phenyl]-1-cyclohexylbutyl]phenoxy]aniline (CID 70291666) is 4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-cyclohexylbutyl]phenoxy]aniline.
What is the SMILES notation for 4-[4-[1-[4-(4-Aminophenoxy)phenyl]-1-cyclohexylbutyl]phenoxy]aniline?
The canonical SMILES for 4-[4-[1-[4-(4-Aminophenoxy)phenyl]-1-cyclohexylbutyl]phenoxy]aniline is CCCC(C1CCCCC1)(C2=CC=C(C=C2)OC3=CC=C(C=C3)N)C4=CC=C(C=C4)OC5=CC=C(C=C5)N.
What is the InChIKey of 4-[4-[1-[4-(4-Aminophenoxy)phenyl]-1-cyclohexylbutyl]phenoxy]aniline?
The InChIKey is JYOXJAHRDKOOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2O2/c1-2-24-34(25-6-4-3-5-7-25,26-8-16-30(17-9-26)37-32-20-12-28(35)13-21-32)27-10-18-31(19-11-27)38-33-22-14-29(36)15-23-33/h8-23,25H,2-7,24,35-36H2,1H3.
What are the key properties of 4-[4-[1-[4-(4-Aminophenoxy)phenyl]-1-cyclohexylbutyl]phenoxy]aniline?
4-[4-[1-[4-(4-Aminophenoxy)phenyl]-1-cyclohexylbutyl]phenoxy]aniline has a molecular weight of 506.70 g/mol, XLogP of 9.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[4-(4-Aminophenoxy)phenyl]-1-cyclohexylbutyl]phenoxy]aniline is sourced from PubChem (CID 70291666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).