2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine

C14H23NO2 — CID 79492540

IUPAC2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCNC(c1cc(C)c(C)cc1C)C(OC)OC
InChIInChI=1S/C14H23NO2/c1-9-7-11(3)12(8-10(9)2)13(15-4)14(16-5)17-6/h7-8,13-15H,1-6H3
InChIKeyXRJWWIYKBCXEJK-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.49
Rot. Bonds5

About 2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine

2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 79492540) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID79492540
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCNC(c1cc(C)c(C)cc1C)C(OC)OC
InChIInChI=1S/C14H23NO2/c1-9-7-11(3)12(8-10(9)2)13(15-4)14(16-5)17-6/h7-8,13-15H,1-6H3
InChIKeyXRJWWIYKBCXEJK-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.49
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-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of 2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine (CID 79492540) is 2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine is CNC(c1cc(C)c(C)cc1C)C(OC)OC.
What is the InChIKey of 2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is XRJWWIYKBCXEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9-7-11(3)12(8-10(9)2)13(15-4)14(16-5)17-6/h7-8,13-15H,1-6H3.
What are the key properties of 2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine?
2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.49, 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-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 79492540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).