4-(octylamino)phenol

C14H23NO — CID 10398601

IUPAC4-(octylamino)phenol
SMILESCCCCCCCCNc1ccc(O)cc1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-6-7-12-15-13-8-10-14(16)11-9-13/h8-11,15-16H,2-7,12H2,1H3
InChIKeyKOEPVRRQRZJIPR-UHFFFAOYSA-N
MW221.34 g/mol
LogP4.16
Rot. Bonds8

About 4-(octylamino)phenol

4-(octylamino)phenol (PubChem CID 10398601) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(octylamino)phenol.

Molecular Properties

Compound Name4-(octylamino)phenol
PubChem CID10398601
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(octylamino)phenol
SMILESCCCCCCCCNc1ccc(O)cc1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-6-7-12-15-13-8-10-14(16)11-9-13/h8-11,15-16H,2-7,12H2,1H3
InChIKeyKOEPVRRQRZJIPR-UHFFFAOYSA-N
XLogP4.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(octylamino)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-(octylamino)phenol?
The IUPAC name of 4-(octylamino)phenol (CID 10398601) is 4-(octylamino)phenol.
What is the SMILES notation for 4-(octylamino)phenol?
The canonical SMILES for 4-(octylamino)phenol is CCCCCCCCNc1ccc(O)cc1.
What is the InChIKey of 4-(octylamino)phenol?
The InChIKey is KOEPVRRQRZJIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-4-5-6-7-12-15-13-8-10-14(16)11-9-13/h8-11,15-16H,2-7,12H2,1H3.
What are the key properties of 4-(octylamino)phenol?
4-(octylamino)phenol has a molecular weight of 221.34 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(octylamino)phenol is sourced from PubChem (CID 10398601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).