2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol

C10H15NO3 — CID 117287079

IUPAC2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol
SMILESCONCc1c(C)ccc(O)c1OC
InChIInChI=1S/C10H15NO3/c1-7-4-5-9(12)10(13-2)8(7)6-11-14-3/h4-5,11-12H,6H2,1-3H3
InChIKeyAETXJWCKRYUFSZ-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.36
Rot. Bonds4

About 2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol

2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol (PubChem CID 117287079) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol
PubChem CID117287079
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol
SMILESCONCc1c(C)ccc(O)c1OC
InChIInChI=1S/C10H15NO3/c1-7-4-5-9(12)10(13-2)8(7)6-11-14-3/h4-5,11-12H,6H2,1-3H3
InChIKeyAETXJWCKRYUFSZ-UHFFFAOYSA-N
XLogP1.36
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminoethyl)-2-methoxy-4-methylphenol
CID 117278761
6-chloro-2-[(methoxyamino)methyl]-3-methylphenol
CID 117290479
N-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine
CID 117327472
2,3-dimethoxy-4-methylphenol;propane
CID 143012581
3-fluoro-2-methoxy-4-methylphenol
CID 164891079
4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol
CID 117283819
2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol
CID 117299228
4-bromo-3-[(methoxyamino)methyl]benzene-1,2-diol
CID 117372654
1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine
CID 117292243
1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117323976
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117331664
4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol
CID 117366782

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol?
The IUPAC name of 2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol (CID 117287079) is 2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol.
What is the SMILES notation for 2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol?
The canonical SMILES for 2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol is CONCc1c(C)ccc(O)c1OC.
What is the InChIKey of 2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol?
The InChIKey is AETXJWCKRYUFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-4-5-9(12)10(13-2)8(7)6-11-14-3/h4-5,11-12H,6H2,1-3H3.
What are the key properties of 2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol?
2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol has a molecular weight of 197.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol is sourced from PubChem (CID 117287079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).