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

C11H17NO2 — CID 79492325

IUPAC2,2-dimethoxy-N-methyl-1-phenylethanamine
SMILESCNC(c1ccccc1)C(OC)OC
InChIInChI=1S/C11H17NO2/c1-12-10(11(13-2)14-3)9-7-5-4-6-8-9/h4-8,10-12H,1-3H3
InChIKeyOIAWQTOJRDLQFO-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.57
Rot. Bonds5

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

2,2-dimethoxy-N-methyl-1-phenylethanamine (PubChem CID 79492325) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2,2-dimethoxy-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-methyl-1-phenylethanamine
PubChem CID79492325
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2,2-dimethoxy-N-methyl-1-phenylethanamine
SMILESCNC(c1ccccc1)C(OC)OC
InChIInChI=1S/C11H17NO2/c1-12-10(11(13-2)14-3)9-7-5-4-6-8-9/h4-8,10-12H,1-3H3
InChIKeyOIAWQTOJRDLQFO-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
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 2,2-dimethoxy-N-methyl-1-phenylethanamine?
The IUPAC name of 2,2-dimethoxy-N-methyl-1-phenylethanamine (CID 79492325) is 2,2-dimethoxy-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-methyl-1-phenylethanamine?
The canonical SMILES for 2,2-dimethoxy-N-methyl-1-phenylethanamine is CNC(c1ccccc1)C(OC)OC.
What is the InChIKey of 2,2-dimethoxy-N-methyl-1-phenylethanamine?
The InChIKey is OIAWQTOJRDLQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12-10(11(13-2)14-3)9-7-5-4-6-8-9/h4-8,10-12H,1-3H3.
What are the key properties of 2,2-dimethoxy-N-methyl-1-phenylethanamine?
2,2-dimethoxy-N-methyl-1-phenylethanamine has a molecular weight of 195.26 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-methyl-1-phenylethanamine is sourced from PubChem (CID 79492325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).