4-(ethoxymethylamino)phenol

C9H13NO2 — CID 59809482

IUPAC4-(ethoxymethylamino)phenol
SMILESCCOCNc1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c1-2-12-7-10-8-3-5-9(11)6-4-8/h3-6,10-11H,2,7H2,1H3
InChIKeyYIMYKHLJBFIXFB-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.80
Rot. Bonds4

About 4-(ethoxymethylamino)phenol

4-(ethoxymethylamino)phenol (PubChem CID 59809482) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(ethoxymethylamino)phenol.

Molecular Properties

Compound Name4-(ethoxymethylamino)phenol
PubChem CID59809482
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-(ethoxymethylamino)phenol
SMILESCCOCNc1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c1-2-12-7-10-8-3-5-9(11)6-4-8/h3-6,10-11H,2,7H2,1H3
InChIKeyYIMYKHLJBFIXFB-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-hydroxyanilino)acetate;hydrochloride
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4-(2-propoxyethylamino)phenol
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4-[5-[heptadecyl(hydroxymethyl)amino]pentoxymethylamino]phenol
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4-[(4-ethoxyanilino)methyl]phenol
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N,N-diethyl-2-(4-hydroxyanilino)acetamide
CID 11806273
4-(2-methylpropylamino)phenol
CID 15847203
4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen
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1-(4-hydroxyanilino)propane-1,1-diol
CID 175693749
2-(2,2-dimethylbutanoylamino)-5-(ethoxymethylamino)benzoic acid
CID 20793429
propyl 2-(4-hydroxyanilino)acetate
CID 22630351
1-N-(anilinomethyl)-3-N-(ethoxymethyl)-4-methylbenzene-1,3-diamine
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N-(propoxymethyl)-4-propylaniline
CID 162035789

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethylamino)phenol?
The IUPAC name of 4-(ethoxymethylamino)phenol (CID 59809482) is 4-(ethoxymethylamino)phenol.
What is the SMILES notation for 4-(ethoxymethylamino)phenol?
The canonical SMILES for 4-(ethoxymethylamino)phenol is CCOCNc1ccc(O)cc1.
What is the InChIKey of 4-(ethoxymethylamino)phenol?
The InChIKey is YIMYKHLJBFIXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-12-7-10-8-3-5-9(11)6-4-8/h3-6,10-11H,2,7H2,1H3.
What are the key properties of 4-(ethoxymethylamino)phenol?
4-(ethoxymethylamino)phenol has a molecular weight of 167.21 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethylamino)phenol is sourced from PubChem (CID 59809482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).