1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine

C12H19NO4 — CID 117355207

IUPAC1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine
SMILESCOCc1cc(OC)c(CNOC)c(OC)c1
InChIInChI=1S/C12H19NO4/c1-14-8-9-5-11(15-2)10(7-13-17-4)12(6-9)16-3/h5-6,13H,7-8H2,1-4H3
InChIKeyJAWZZNAPCGGGDA-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.50
Rot. Bonds7

About 1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine

1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine (PubChem CID 117355207) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine
PubChem CID117355207
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine
SMILESCOCc1cc(OC)c(CNOC)c(OC)c1
InChIInChI=1S/C12H19NO4/c1-14-8-9-5-11(15-2)10(7-13-17-4)12(6-9)16-3/h5-6,13H,7-8H2,1-4H3
InChIKeyJAWZZNAPCGGGDA-UHFFFAOYSA-N
XLogP1.50
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene
CID 24770685
2-[2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methoxy]ethoxy]-N-methylethanamine;ethane
CID 156754219
1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117337458
1-(3-chloro-4-ethyl-5-methoxyphenyl)-N-methoxymethanamine
CID 117331660
1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117323976
1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine
CID 117491265
1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine
CID 117301707
1-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117499022
1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117304180
1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313541
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117452889

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine?
The IUPAC name of 1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine (CID 117355207) is 1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine.
What is the SMILES notation for 1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine?
The canonical SMILES for 1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine is COCc1cc(OC)c(CNOC)c(OC)c1.
What is the InChIKey of 1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine?
The InChIKey is JAWZZNAPCGGGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-14-8-9-5-11(15-2)10(7-13-17-4)12(6-9)16-3/h5-6,13H,7-8H2,1-4H3.
What are the key properties of 1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine?
1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine has a molecular weight of 241.29 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine is sourced from PubChem (CID 117355207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).