4-[(octylamino)methyl]phenol

C15H25NO — CID 78911393

IUPAC4-[(octylamino)methyl]phenol
SMILESCCCCCCCCNCc1ccc(O)cc1
InChIInChI=1S/C15H25NO/c1-2-3-4-5-6-7-12-16-13-14-8-10-15(17)11-9-14/h8-11,16-17H,2-7,12-13H2,1H3
InChIKeyBSKCSLWLBSDTDM-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.84
Rot. Bonds9

About 4-[(octylamino)methyl]phenol

4-[(octylamino)methyl]phenol (PubChem CID 78911393) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[(octylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(octylamino)methyl]phenol
PubChem CID78911393
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-[(octylamino)methyl]phenol
SMILESCCCCCCCCNCc1ccc(O)cc1
InChIInChI=1S/C15H25NO/c1-2-3-4-5-6-7-12-16-13-14-8-10-15(17)11-9-14/h8-11,16-17H,2-7,12-13H2,1H3
InChIKeyBSKCSLWLBSDTDM-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(octylamino)methyl]phenol?
The IUPAC name of 4-[(octylamino)methyl]phenol (CID 78911393) is 4-[(octylamino)methyl]phenol.
What is the SMILES notation for 4-[(octylamino)methyl]phenol?
The canonical SMILES for 4-[(octylamino)methyl]phenol is CCCCCCCCNCc1ccc(O)cc1.
What is the InChIKey of 4-[(octylamino)methyl]phenol?
The InChIKey is BSKCSLWLBSDTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-3-4-5-6-7-12-16-13-14-8-10-15(17)11-9-14/h8-11,16-17H,2-7,12-13H2,1H3.
What are the key properties of 4-[(octylamino)methyl]phenol?
4-[(octylamino)methyl]phenol has a molecular weight of 235.37 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(octylamino)methyl]phenol is sourced from PubChem (CID 78911393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).