1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine

C12H19NO3 — CID 117323976

IUPAC1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine
SMILESCONCc1c(C)c(C)cc(OC)c1OC
InChIInChI=1S/C12H19NO3/c1-8-6-11(14-3)12(15-4)10(9(8)2)7-13-16-5/h6,13H,7H2,1-5H3
InChIKeyVRAKWBIVZFWSFJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.97
Rot. Bonds5

About 1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine

1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine (PubChem CID 117323976) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine
PubChem CID117323976
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine
SMILESCONCc1c(C)c(C)cc(OC)c1OC
InChIInChI=1S/C12H19NO3/c1-8-6-11(14-3)12(15-4)10(9(8)2)7-13-16-5/h6,13H,7H2,1-5H3
InChIKeyVRAKWBIVZFWSFJ-UHFFFAOYSA-N
XLogP1.97
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117331664
1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine
CID 117491265
1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117489365
1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117323985
1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117409447
2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol
CID 117301699
1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117337458
1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
CID 117337456
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol
CID 117287079
(3-methoxy-2,5,6-trimethylphenyl)methanol
CID 130125367
1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine
CID 117355207

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine (CID 117323976) is 1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine is CONCc1c(C)c(C)cc(OC)c1OC.
What is the InChIKey of 1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine?
The InChIKey is VRAKWBIVZFWSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-6-11(14-3)12(15-4)10(9(8)2)7-13-16-5/h6,13H,7H2,1-5H3.
What are the key properties of 1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine?
1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine has a molecular weight of 225.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117323976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).