4-[4-(4-benzylcyclohexyl)phenoxy]aniline

C25H27NO — CID 141158103

IUPAC4-[4-(4-benzylcyclohexyl)phenoxy]aniline
SMILESNc1ccc(Oc2ccc(C3CCC(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C25H27NO/c26-23-12-16-25(17-13-23)27-24-14-10-22(11-15-24)21-8-6-20(7-9-21)18-19-4-2-1-3-5-19/h1-5,10-17,20-21H,6-9,18,26H2
InChIKeyPHBHXXSZRWCIBC-UHFFFAOYSA-N
MW357.50 g/mol
LogP6.58
Rot. Bonds5

About 4-[4-(4-benzylcyclohexyl)phenoxy]aniline

4-[4-(4-benzylcyclohexyl)phenoxy]aniline (PubChem CID 141158103) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 4-[4-(4-benzylcyclohexyl)phenoxy]aniline.

Molecular Properties

Compound Name4-[4-(4-benzylcyclohexyl)phenoxy]aniline
PubChem CID141158103
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name4-[4-(4-benzylcyclohexyl)phenoxy]aniline
SMILESNc1ccc(Oc2ccc(C3CCC(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C25H27NO/c26-23-12-16-25(17-13-23)27-24-14-10-22(11-15-24)21-8-6-20(7-9-21)18-19-4-2-1-3-5-19/h1-5,10-17,20-21H,6-9,18,26H2
InChIKeyPHBHXXSZRWCIBC-UHFFFAOYSA-N
XLogP6.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 56.58
H-Bond Donors ≤ 51
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-[4-(4-benzylcyclohexyl)phenoxy]aniline?
The IUPAC name of 4-[4-(4-benzylcyclohexyl)phenoxy]aniline (CID 141158103) is 4-[4-(4-benzylcyclohexyl)phenoxy]aniline.
What is the SMILES notation for 4-[4-(4-benzylcyclohexyl)phenoxy]aniline?
The canonical SMILES for 4-[4-(4-benzylcyclohexyl)phenoxy]aniline is Nc1ccc(Oc2ccc(C3CCC(Cc4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 4-[4-(4-benzylcyclohexyl)phenoxy]aniline?
The InChIKey is PHBHXXSZRWCIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c26-23-12-16-25(17-13-23)27-24-14-10-22(11-15-24)21-8-6-20(7-9-21)18-19-4-2-1-3-5-19/h1-5,10-17,20-21H,6-9,18,26H2.
What are the key properties of 4-[4-(4-benzylcyclohexyl)phenoxy]aniline?
4-[4-(4-benzylcyclohexyl)phenoxy]aniline has a molecular weight of 357.50 g/mol, XLogP of 6.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-benzylcyclohexyl)phenoxy]aniline is sourced from PubChem (CID 141158103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).