4-[(2-ethoxyphenyl)methylamino]phenol

C15H17NO2 — CID 833983

IUPAC4-[(2-ethoxyphenyl)methylamino]phenol
SMILESCCOc1ccccc1CNc1ccc(O)cc1
InChIInChI=1S/C15H17NO2/c1-2-18-15-6-4-3-5-12(15)11-16-13-7-9-14(17)10-8-13/h3-10,16-17H,2,11H2,1H3
InChIKeyQRHODCFUINANGJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.40
Rot. Bonds5

About 4-[(2-ethoxyphenyl)methylamino]phenol

4-[(2-ethoxyphenyl)methylamino]phenol (PubChem CID 833983) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[(2-ethoxyphenyl)methylamino]phenol.

Molecular Properties

Compound Name4-[(2-ethoxyphenyl)methylamino]phenol
PubChem CID833983
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-[(2-ethoxyphenyl)methylamino]phenol
SMILESCCOc1ccccc1CNc1ccc(O)cc1
InChIInChI=1S/C15H17NO2/c1-2-18-15-6-4-3-5-12(15)11-16-13-7-9-14(17)10-8-13/h3-10,16-17H,2,11H2,1H3
InChIKeyQRHODCFUINANGJ-UHFFFAOYSA-N
XLogP3.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyphenyl)methylamino]phenol?
The IUPAC name of 4-[(2-ethoxyphenyl)methylamino]phenol (CID 833983) is 4-[(2-ethoxyphenyl)methylamino]phenol.
What is the SMILES notation for 4-[(2-ethoxyphenyl)methylamino]phenol?
The canonical SMILES for 4-[(2-ethoxyphenyl)methylamino]phenol is CCOc1ccccc1CNc1ccc(O)cc1.
What is the InChIKey of 4-[(2-ethoxyphenyl)methylamino]phenol?
The InChIKey is QRHODCFUINANGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-18-15-6-4-3-5-12(15)11-16-13-7-9-14(17)10-8-13/h3-10,16-17H,2,11H2,1H3.
What are the key properties of 4-[(2-ethoxyphenyl)methylamino]phenol?
4-[(2-ethoxyphenyl)methylamino]phenol has a molecular weight of 243.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyphenyl)methylamino]phenol is sourced from PubChem (CID 833983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).