4-(2-methoxyethylamino)phenol

C9H13NO2 — CID 19607199

IUPAC4-(2-methoxyethylamino)phenol
SMILESCOCCNc1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c1-12-7-6-10-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3
InChIKeyPARUKPROYNLTMO-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.45
Rot. Bonds4

About 4-(2-methoxyethylamino)phenol

4-(2-methoxyethylamino)phenol (PubChem CID 19607199) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)phenol.

Molecular Properties

Compound Name4-(2-methoxyethylamino)phenol
PubChem CID19607199
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-(2-methoxyethylamino)phenol
SMILESCOCCNc1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c1-12-7-6-10-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3
InChIKeyPARUKPROYNLTMO-UHFFFAOYSA-N
XLogP1.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)phenol?
The IUPAC name of 4-(2-methoxyethylamino)phenol (CID 19607199) is 4-(2-methoxyethylamino)phenol.
What is the SMILES notation for 4-(2-methoxyethylamino)phenol?
The canonical SMILES for 4-(2-methoxyethylamino)phenol is COCCNc1ccc(O)cc1.
What is the InChIKey of 4-(2-methoxyethylamino)phenol?
The InChIKey is PARUKPROYNLTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-12-7-6-10-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3.
What are the key properties of 4-(2-methoxyethylamino)phenol?
4-(2-methoxyethylamino)phenol has a molecular weight of 167.21 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)phenol is sourced from PubChem (CID 19607199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).