3-[ethyl(hydroxy)amino]-4-methylphenol

C9H13NO2 — CID 174961453

IUPAC3-[ethyl(hydroxy)amino]-4-methylphenol
SMILESCCN(O)c1cc(O)ccc1C
InChIInChI=1S/C9H13NO2/c1-3-10(12)9-6-8(11)5-4-7(9)2/h4-6,11-12H,3H2,1-2H3
InChIKeyLIATVMRXUIHNIC-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.92
Rot. Bonds2

About 3-[ethyl(hydroxy)amino]-4-methylphenol

3-[ethyl(hydroxy)amino]-4-methylphenol (PubChem CID 174961453) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-[ethyl(hydroxy)amino]-4-methylphenol.

Molecular Properties

Compound Name3-[ethyl(hydroxy)amino]-4-methylphenol
PubChem CID174961453
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-[ethyl(hydroxy)amino]-4-methylphenol
SMILESCCN(O)c1cc(O)ccc1C
InChIInChI=1S/C9H13NO2/c1-3-10(12)9-6-8(11)5-4-7(9)2/h4-6,11-12H,3H2,1-2H3
InChIKeyLIATVMRXUIHNIC-UHFFFAOYSA-N
XLogP1.92
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Edrophonium Chloride
CID 8307
Edrophonium
CID 3202
3-(Diethylamino)phenol
CID 7062
3-(Dimethylamino)phenol
CID 7421
3-Ethylamino-4-methylphenol
CID 8428
2(1H)-Quinolone, 7-hydroxy-4-methyl-
CID 5374442
Benzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-, bromide (1:1)
CID 9336
3-Dimethylamino-4-methylphenol
CID 8389
3-Nitro-p-cresol
CID 16271
N,N-Dibutyl-3-aminophenol
CID 601234
3-hydroxy-N,N,N-trimethylbenzenaminium
CID 15384
Bis[ethyl(4-hydroxy-o-tolyl)ammonium] sulphate
CID 109925

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(hydroxy)amino]-4-methylphenol?
The IUPAC name of 3-[ethyl(hydroxy)amino]-4-methylphenol (CID 174961453) is 3-[ethyl(hydroxy)amino]-4-methylphenol.
What is the SMILES notation for 3-[ethyl(hydroxy)amino]-4-methylphenol?
The canonical SMILES for 3-[ethyl(hydroxy)amino]-4-methylphenol is CCN(O)c1cc(O)ccc1C.
What is the InChIKey of 3-[ethyl(hydroxy)amino]-4-methylphenol?
The InChIKey is LIATVMRXUIHNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-10(12)9-6-8(11)5-4-7(9)2/h4-6,11-12H,3H2,1-2H3.
What are the key properties of 3-[ethyl(hydroxy)amino]-4-methylphenol?
3-[ethyl(hydroxy)amino]-4-methylphenol has a molecular weight of 167.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(hydroxy)amino]-4-methylphenol is sourced from PubChem (CID 174961453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).