4-[2-(benzylamino)ethoxy]phenol

C15H17NO2 — CID 15034333

IUPAC4-[2-(benzylamino)ethoxy]phenol
SMILESOc1ccc(OCCNCc2ccccc2)cc1
InChIInChI=1S/C15H17NO2/c17-14-6-8-15(9-7-14)18-11-10-16-12-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2
InChIKeyJADOYZZQMNOBML-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.56
Rot. Bonds6

About 4-[2-(benzylamino)ethoxy]phenol

4-[2-(benzylamino)ethoxy]phenol (PubChem CID 15034333) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[2-(benzylamino)ethoxy]phenol.

Molecular Properties

Compound Name4-[2-(benzylamino)ethoxy]phenol
PubChem CID15034333
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-[2-(benzylamino)ethoxy]phenol
SMILESOc1ccc(OCCNCc2ccccc2)cc1
InChIInChI=1S/C15H17NO2/c17-14-6-8-15(9-7-14)18-11-10-16-12-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2
InChIKeyJADOYZZQMNOBML-UHFFFAOYSA-N
XLogP2.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(benzylamino)ethoxy]phenol?
The IUPAC name of 4-[2-(benzylamino)ethoxy]phenol (CID 15034333) is 4-[2-(benzylamino)ethoxy]phenol.
What is the SMILES notation for 4-[2-(benzylamino)ethoxy]phenol?
The canonical SMILES for 4-[2-(benzylamino)ethoxy]phenol is Oc1ccc(OCCNCc2ccccc2)cc1.
What is the InChIKey of 4-[2-(benzylamino)ethoxy]phenol?
The InChIKey is JADOYZZQMNOBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-14-6-8-15(9-7-14)18-11-10-16-12-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2.
What are the key properties of 4-[2-(benzylamino)ethoxy]phenol?
4-[2-(benzylamino)ethoxy]phenol has a molecular weight of 243.31 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylamino)ethoxy]phenol is sourced from PubChem (CID 15034333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).