1,1-dimethoxy-N-methyl-2-phenylethanamine

C11H17NO2 — CID 54389274

IUPAC1,1-dimethoxy-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)(OC)OC
InChIInChI=1S/C11H17NO2/c1-12-11(13-2,14-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKeyRTAYKWPXPRHFOW-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.40
Rot. Bonds5

About 1,1-dimethoxy-N-methyl-2-phenylethanamine

1,1-dimethoxy-N-methyl-2-phenylethanamine (PubChem CID 54389274) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1,1-dimethoxy-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name1,1-dimethoxy-N-methyl-2-phenylethanamine
PubChem CID54389274
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1,1-dimethoxy-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)(OC)OC
InChIInChI=1S/C11H17NO2/c1-12-11(13-2,14-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKeyRTAYKWPXPRHFOW-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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 1,1-dimethoxy-N-methyl-2-phenylethanamine?
The IUPAC name of 1,1-dimethoxy-N-methyl-2-phenylethanamine (CID 54389274) is 1,1-dimethoxy-N-methyl-2-phenylethanamine.
What is the SMILES notation for 1,1-dimethoxy-N-methyl-2-phenylethanamine?
The canonical SMILES for 1,1-dimethoxy-N-methyl-2-phenylethanamine is CNC(Cc1ccccc1)(OC)OC.
What is the InChIKey of 1,1-dimethoxy-N-methyl-2-phenylethanamine?
The InChIKey is RTAYKWPXPRHFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12-11(13-2,14-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3.
What are the key properties of 1,1-dimethoxy-N-methyl-2-phenylethanamine?
1,1-dimethoxy-N-methyl-2-phenylethanamine has a molecular weight of 195.26 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N-methyl-2-phenylethanamine is sourced from PubChem (CID 54389274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).