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(c1ccc(Oc2ccc(N)cc2)cc1)(c1ccc(Oc2ccc(N)cc2)cc1)C1CCCCC1
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
MW506.69 g/mol
LogP9.10
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 506.69 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 Weight506.69 g/mol
Exact Mass506.29
IUPAC Name4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-cyclohexylbutyl]phenoxy]aniline
SMILESCCCC(c1ccc(Oc2ccc(N)cc2)cc1)(c1ccc(Oc2ccc(N)cc2)cc1)C1CCCCC1
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
XLogP9.10
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 59.10
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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Related Compounds

4-[4-[4-[4-(4-aminophenoxy)phenyl]heptan-4-yl]phenoxy]aniline
CID 56978191
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)pentyl]phenyl]-1-cyclohexylbutyl]phenyl]pentyl]-3-methylaniline
CID 70271985
4-[4-[2-[4-(4-aminophenoxy)-3-cyclohexylphenyl]butan-2-yl]-2-cyclohexylphenoxy]aniline
CID 139880816
4-[4-(4-aminophenoxy)phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 69301255
4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline
CID 19913250
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)hexyl]phenyl]-1-cyclohexylpentyl]phenyl]hexyl]-3-methylaniline
CID 70271778
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)pentyl]phenyl]-1-cyclohexyloctyl]phenyl]pentyl]-3-methylaniline
CID 70273401
4-(4-aminophenoxy)aniline
CID 161415647
2-(4-cyclopentyloxyphenyl)-2-methylpentan-1-amine
CID 112519348
4-[4-[5-[4-(4-aminophenoxy)phenyl]-1-fluorononan-5-yl]phenoxy]aniline
CID 57315593
3-[4-(4-aminophenoxy)phenyl]butane-1,3-diol
CID 54340762
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)butyl]phenyl]-1-cyclohexylpropyl]phenyl]butyl]-3-methylaniline
CID 70274182

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(c1ccc(Oc2ccc(N)cc2)cc1)(c1ccc(Oc2ccc(N)cc2)cc1)C1CCCCC1.
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 506.69 g/mol, XLogP of 9.10, 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).