4-(2-propoxyethylamino)phenol

C11H17NO2 — CID 162495053

IUPAC4-(2-propoxyethylamino)phenol
SMILESCCCOCCNc1ccc(O)cc1
InChIInChI=1S/C11H17NO2/c1-2-8-14-9-7-12-10-3-5-11(13)6-4-10/h3-6,12-13H,2,7-9H2,1H3
InChIKeyUJEJHLDXWCKKEI-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.23
Rot. Bonds6

About 4-(2-propoxyethylamino)phenol

4-(2-propoxyethylamino)phenol (PubChem CID 162495053) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(2-propoxyethylamino)phenol.

Molecular Properties

Compound Name4-(2-propoxyethylamino)phenol
PubChem CID162495053
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-(2-propoxyethylamino)phenol
SMILESCCCOCCNc1ccc(O)cc1
InChIInChI=1S/C11H17NO2/c1-2-8-14-9-7-12-10-3-5-11(13)6-4-10/h3-6,12-13H,2,7-9H2,1H3
InChIKeyUJEJHLDXWCKKEI-UHFFFAOYSA-N
XLogP2.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.23
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-propoxyethylamino)phenol?
The IUPAC name of 4-(2-propoxyethylamino)phenol (CID 162495053) is 4-(2-propoxyethylamino)phenol.
What is the SMILES notation for 4-(2-propoxyethylamino)phenol?
The canonical SMILES for 4-(2-propoxyethylamino)phenol is CCCOCCNc1ccc(O)cc1.
What is the InChIKey of 4-(2-propoxyethylamino)phenol?
The InChIKey is UJEJHLDXWCKKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-8-14-9-7-12-10-3-5-11(13)6-4-10/h3-6,12-13H,2,7-9H2,1H3.
What are the key properties of 4-(2-propoxyethylamino)phenol?
4-(2-propoxyethylamino)phenol has a molecular weight of 195.26 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propoxyethylamino)phenol is sourced from PubChem (CID 162495053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).