4-[2-(6-phenylhexylamino)ethyl]phenol

C20H27NO — CID 10782907

IUPAC4-[2-(6-phenylhexylamino)ethyl]phenol
SMILESOc1ccc(CCNCCCCCCc2ccccc2)cc1
InChIInChI=1S/C20H27NO/c22-20-13-11-19(12-14-20)15-17-21-16-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-14,21-22H,1-2,4,7-8,15-17H2
InChIKeyGWYOLALPGDHNBU-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.33
Rot. Bonds10

About 4-[2-(6-phenylhexylamino)ethyl]phenol

4-[2-(6-phenylhexylamino)ethyl]phenol (PubChem CID 10782907) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-[2-(6-phenylhexylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(6-phenylhexylamino)ethyl]phenol
PubChem CID10782907
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name4-[2-(6-phenylhexylamino)ethyl]phenol
SMILESOc1ccc(CCNCCCCCCc2ccccc2)cc1
InChIInChI=1S/C20H27NO/c22-20-13-11-19(12-14-20)15-17-21-16-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-14,21-22H,1-2,4,7-8,15-17H2
InChIKeyGWYOLALPGDHNBU-UHFFFAOYSA-N
XLogP4.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(6-phenylhexylamino)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-phenylhexylamino)ethyl]phenol?
The IUPAC name of 4-[2-(6-phenylhexylamino)ethyl]phenol (CID 10782907) is 4-[2-(6-phenylhexylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-(6-phenylhexylamino)ethyl]phenol?
The canonical SMILES for 4-[2-(6-phenylhexylamino)ethyl]phenol is Oc1ccc(CCNCCCCCCc2ccccc2)cc1.
What is the InChIKey of 4-[2-(6-phenylhexylamino)ethyl]phenol?
The InChIKey is GWYOLALPGDHNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c22-20-13-11-19(12-14-20)15-17-21-16-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-14,21-22H,1-2,4,7-8,15-17H2.
What are the key properties of 4-[2-(6-phenylhexylamino)ethyl]phenol?
4-[2-(6-phenylhexylamino)ethyl]phenol has a molecular weight of 297.44 g/mol, XLogP of 4.33, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-phenylhexylamino)ethyl]phenol is sourced from PubChem (CID 10782907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).