1-[2-(dimethoxymethyl)phenyl]-N-methylmethanamine

C11H17NO2 — CID 84773600

IUPAC1-[2-(dimethoxymethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1C(OC)OC
InChIInChI=1S/C11H17NO2/c1-12-8-9-6-4-5-7-10(9)11(13-2)14-3/h4-7,11-12H,8H2,1-3H3
InChIKeyVJEDNKPMJUGKRS-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.70
Rot. Bonds5

About 1-[2-(dimethoxymethyl)phenyl]-N-methylmethanamine

1-[2-(dimethoxymethyl)phenyl]-N-methylmethanamine (PubChem CID 84773600) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-[2-(dimethoxymethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(dimethoxymethyl)phenyl]-N-methylmethanamine
PubChem CID84773600
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-[2-(dimethoxymethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1C(OC)OC
InChIInChI=1S/C11H17NO2/c1-12-8-9-6-4-5-7-10(9)11(13-2)14-3/h4-7,11-12H,8H2,1-3H3
InChIKeyVJEDNKPMJUGKRS-UHFFFAOYSA-N
XLogP1.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethoxymethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(dimethoxymethyl)phenyl]-N-methylmethanamine (CID 84773600) is 1-[2-(dimethoxymethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(dimethoxymethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(dimethoxymethyl)phenyl]-N-methylmethanamine is CNCc1ccccc1C(OC)OC.
What is the InChIKey of 1-[2-(dimethoxymethyl)phenyl]-N-methylmethanamine?
The InChIKey is VJEDNKPMJUGKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12-8-9-6-4-5-7-10(9)11(13-2)14-3/h4-7,11-12H,8H2,1-3H3.
What are the key properties of 1-[2-(dimethoxymethyl)phenyl]-N-methylmethanamine?
1-[2-(dimethoxymethyl)phenyl]-N-methylmethanamine has a molecular weight of 195.26 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethoxymethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 84773600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).