4-[3-ethoxypropyl(ethyl)amino]phenol

C13H21NO2 — CID 57229004

IUPAC4-[3-ethoxypropyl(ethyl)amino]phenol
SMILESCCOCCCN(CC)c1ccc(O)cc1
InChIInChI=1S/C13H21NO2/c1-3-14(10-5-11-16-4-2)12-6-8-13(15)9-7-12/h6-9,15H,3-5,10-11H2,1-2H3
InChIKeyAOAWPJBEJVTGQS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.65
Rot. Bonds7

About 4-[3-ethoxypropyl(ethyl)amino]phenol

4-[3-ethoxypropyl(ethyl)amino]phenol (PubChem CID 57229004) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[3-ethoxypropyl(ethyl)amino]phenol.

Molecular Properties

Compound Name4-[3-ethoxypropyl(ethyl)amino]phenol
PubChem CID57229004
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[3-ethoxypropyl(ethyl)amino]phenol
SMILESCCOCCCN(CC)c1ccc(O)cc1
InChIInChI=1S/C13H21NO2/c1-3-14(10-5-11-16-4-2)12-6-8-13(15)9-7-12/h6-9,15H,3-5,10-11H2,1-2H3
InChIKeyAOAWPJBEJVTGQS-UHFFFAOYSA-N
XLogP2.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
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-[3-ethoxypropyl(ethyl)amino]phenol?
The IUPAC name of 4-[3-ethoxypropyl(ethyl)amino]phenol (CID 57229004) is 4-[3-ethoxypropyl(ethyl)amino]phenol.
What is the SMILES notation for 4-[3-ethoxypropyl(ethyl)amino]phenol?
The canonical SMILES for 4-[3-ethoxypropyl(ethyl)amino]phenol is CCOCCCN(CC)c1ccc(O)cc1.
What is the InChIKey of 4-[3-ethoxypropyl(ethyl)amino]phenol?
The InChIKey is AOAWPJBEJVTGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-14(10-5-11-16-4-2)12-6-8-13(15)9-7-12/h6-9,15H,3-5,10-11H2,1-2H3.
What are the key properties of 4-[3-ethoxypropyl(ethyl)amino]phenol?
4-[3-ethoxypropyl(ethyl)amino]phenol has a molecular weight of 223.32 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethoxypropyl(ethyl)amino]phenol is sourced from PubChem (CID 57229004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).