1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine

C9H11F2NO2 — CID 117291369

IUPAC1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1ccc(OC)c(F)c1F
InChIInChI=1S/C9H11F2NO2/c1-13-7-4-3-6(5-12-14-2)8(10)9(7)11/h3-4,12H,5H2,1-2H3
InChIKeyLZXQJGLKWUAHII-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.62
Rot. Bonds4

About 1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine

1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine (PubChem CID 117291369) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine
PubChem CID117291369
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1ccc(OC)c(F)c1F
InChIInChI=1S/C9H11F2NO2/c1-13-7-4-3-6(5-12-14-2)8(10)9(7)11/h3-4,12H,5H2,1-2H3
InChIKeyLZXQJGLKWUAHII-UHFFFAOYSA-N
XLogP1.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine 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

1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313541
2,3-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]-4-methoxybenzene
CID 69133272
N-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine
CID 117304523
1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117337458
N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine
CID 84776126
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117330350
1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine
CID 117320541
1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117323985
1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313548
1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117319008
methyl (2S)-2-amino-3-(2,3-difluoro-4-methoxyphenyl)propanoate
CID 171238466
2,3-difluoro-N,4-dimethoxyaniline
CID 176996753

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine (CID 117291369) is 1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine is CONCc1ccc(OC)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine?
The InChIKey is LZXQJGLKWUAHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-13-7-4-3-6(5-12-14-2)8(10)9(7)11/h3-4,12H,5H2,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine?
1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine has a molecular weight of 203.19 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117291369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).