1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine

C9H11F2NO2 — CID 115280691

IUPAC1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
SMILESCONCc1ccccc1OC(F)F
InChIInChI=1S/C9H11F2NO2/c1-13-12-6-7-4-2-3-5-8(7)14-9(10)11/h2-5,9,12H,6H2,1H3
InChIKeyLIMGHYUZNMHJJX-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.94
Rot. Bonds5

About 1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine

1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine (PubChem CID 115280691) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
PubChem CID115280691
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
SMILESCONCc1ccccc1OC(F)F
InChIInChI=1S/C9H11F2NO2/c1-13-12-6-7-4-2-3-5-8(7)14-9(10)11/h2-5,9,12H,6H2,1H3
InChIKeyLIMGHYUZNMHJJX-UHFFFAOYSA-N
XLogP1.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.94
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-(difluoromethoxy)phenyl]-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-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
CID 82715760
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 29272296
N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-4-methoxyaniline
CID 43380507
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60711287
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
CID 43683398
2-[[2-(difluoromethoxy)phenyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850513
1-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54912949
2-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945962
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110942491

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine (CID 115280691) is 1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine is CONCc1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine?
The InChIKey is LIMGHYUZNMHJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-13-12-6-7-4-2-3-5-8(7)14-9(10)11/h2-5,9,12H,6H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine?
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine has a molecular weight of 203.19 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine is sourced from PubChem (CID 115280691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).