5-[(methoxyamino)methyl]-2,3-dimethylphenol

C10H15NO2 — CID 117278874

IUPAC5-[(methoxyamino)methyl]-2,3-dimethylphenol
SMILESCONCc1cc(C)c(C)c(O)c1
InChIInChI=1S/C10H15NO2/c1-7-4-9(6-11-13-3)5-10(12)8(7)2/h4-5,11-12H,6H2,1-3H3
InChIKeyYGWMBTNTUQIUTQ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.66
Rot. Bonds3

About 5-[(methoxyamino)methyl]-2,3-dimethylphenol

5-[(methoxyamino)methyl]-2,3-dimethylphenol (PubChem CID 117278874) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-[(methoxyamino)methyl]-2,3-dimethylphenol.

Molecular Properties

Compound Name5-[(methoxyamino)methyl]-2,3-dimethylphenol
PubChem CID117278874
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name5-[(methoxyamino)methyl]-2,3-dimethylphenol
SMILESCONCc1cc(C)c(C)c(O)c1
InChIInChI=1S/C10H15NO2/c1-7-4-9(6-11-13-3)5-10(12)8(7)2/h4-5,11-12H,6H2,1-3H3
InChIKeyYGWMBTNTUQIUTQ-UHFFFAOYSA-N
XLogP1.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(methoxyamino)methyl]-2,3-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(methoxyamino)methyl]-N,N,2,3-tetramethylaniline
CID 117107457
1-(3,5-dimethylphenyl)-N-methoxymethanamine
CID 60702400
2,6-difluoro-4-[(methoxyamino)methyl]phenol
CID 82707251
5-(2-hydroxypropyl)-2,3-dimethylphenol
CID 117278410
2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol
CID 117301699
2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol
CID 117287079
N-methoxy-1-(3,4,5-trifluorophenyl)methanamine
CID 82706221
5-[(methoxyamino)methyl]benzene-1,2,4-triol;hydrochloride
CID 91937662
5-(methoxymethyl)-1,2,3-trimethylbenzene
CID 23572077
4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol
CID 117293074
4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol
CID 114155638
1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117323976

Frequently Asked Questions

What is the IUPAC name of 5-[(methoxyamino)methyl]-2,3-dimethylphenol?
The IUPAC name of 5-[(methoxyamino)methyl]-2,3-dimethylphenol (CID 117278874) is 5-[(methoxyamino)methyl]-2,3-dimethylphenol.
What is the SMILES notation for 5-[(methoxyamino)methyl]-2,3-dimethylphenol?
The canonical SMILES for 5-[(methoxyamino)methyl]-2,3-dimethylphenol is CONCc1cc(C)c(C)c(O)c1.
What is the InChIKey of 5-[(methoxyamino)methyl]-2,3-dimethylphenol?
The InChIKey is YGWMBTNTUQIUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-4-9(6-11-13-3)5-10(12)8(7)2/h4-5,11-12H,6H2,1-3H3.
What are the key properties of 5-[(methoxyamino)methyl]-2,3-dimethylphenol?
5-[(methoxyamino)methyl]-2,3-dimethylphenol has a molecular weight of 181.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(methoxyamino)methyl]-2,3-dimethylphenol is sourced from PubChem (CID 117278874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).