2-[(ethoxyamino)methyl]-6-methylphenol

C10H15NO2 — CID 112607168

IUPAC2-[(ethoxyamino)methyl]-6-methylphenol
SMILESCCONCc1cccc(C)c1O
InChIInChI=1S/C10H15NO2/c1-3-13-11-7-9-6-4-5-8(2)10(9)12/h4-6,11-12H,3,7H2,1-2H3
InChIKeyGNRRZXWLHQBYCQ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.74
Rot. Bonds4

About 2-[(ethoxyamino)methyl]-6-methylphenol

2-[(ethoxyamino)methyl]-6-methylphenol (PubChem CID 112607168) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-[(ethoxyamino)methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(ethoxyamino)methyl]-6-methylphenol
PubChem CID112607168
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-[(ethoxyamino)methyl]-6-methylphenol
SMILESCCONCc1cccc(C)c1O
InChIInChI=1S/C10H15NO2/c1-3-13-11-7-9-6-4-5-8(2)10(9)12/h4-6,11-12H,3,7H2,1-2H3
InChIKeyGNRRZXWLHQBYCQ-UHFFFAOYSA-N
XLogP1.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[(ethoxyamino)methyl]phenol
CID 82709957
2-methyl-6-[[(1-methylcyclopropyl)amino]methyl]phenol
CID 115907268
2-(butylaminomethyl)-6-methylphenol
CID 82669937
2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 164967326
N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide
CID 112554364
2-methyl-6-[(5-methylhexan-2-ylamino)methyl]phenol
CID 112553862
2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol
CID 20768179
2-(2,2-dimethylpropyl)-6-methylphenol
CID 22013258
2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol
CID 82715781
2-[(1-adamantylamino)methyl]-6-methylphenol
CID 115950917
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 112553913

Frequently Asked Questions

What is the IUPAC name of 2-[(ethoxyamino)methyl]-6-methylphenol?
The IUPAC name of 2-[(ethoxyamino)methyl]-6-methylphenol (CID 112607168) is 2-[(ethoxyamino)methyl]-6-methylphenol.
What is the SMILES notation for 2-[(ethoxyamino)methyl]-6-methylphenol?
The canonical SMILES for 2-[(ethoxyamino)methyl]-6-methylphenol is CCONCc1cccc(C)c1O.
What is the InChIKey of 2-[(ethoxyamino)methyl]-6-methylphenol?
The InChIKey is GNRRZXWLHQBYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-13-11-7-9-6-4-5-8(2)10(9)12/h4-6,11-12H,3,7H2,1-2H3.
What are the key properties of 2-[(ethoxyamino)methyl]-6-methylphenol?
2-[(ethoxyamino)methyl]-6-methylphenol has a molecular weight of 181.23 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(ethoxyamino)methyl]-6-methylphenol is sourced from PubChem (CID 112607168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).