2-(2,5-dimethoxy-4-methylphenyl)-2-methoxy-N-methylethanamine

C13H21NO3 — CID 112512367

IUPAC2-(2,5-dimethoxy-4-methylphenyl)-2-methoxy-N-methylethanamine
SMILESCNCC(OC)c1cc(OC)c(C)cc1OC
InChIInChI=1S/C13H21NO3/c1-9-6-12(16-4)10(7-11(9)15-3)13(17-5)8-14-2/h6-7,13-14H,8H2,1-5H3
InChIKeySSAWUJASTATYAI-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.92
Rot. Bonds6

About 2-(2,5-dimethoxy-4-methylphenyl)-2-methoxy-N-methylethanamine

2-(2,5-dimethoxy-4-methylphenyl)-2-methoxy-N-methylethanamine (PubChem CID 112512367) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-methylphenyl)-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-methylphenyl)-2-methoxy-N-methylethanamine
PubChem CID112512367
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(2,5-dimethoxy-4-methylphenyl)-2-methoxy-N-methylethanamine
SMILESCNCC(OC)c1cc(OC)c(C)cc1OC
InChIInChI=1S/C13H21NO3/c1-9-6-12(16-4)10(7-11(9)15-3)13(17-5)8-14-2/h6-7,13-14H,8H2,1-5H3
InChIKeySSAWUJASTATYAI-UHFFFAOYSA-N
XLogP1.92
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxy-2,5-dimethylphenyl)-2-methoxy-N-methylethanamine
CID 112512308
2-methoxy-2-(2-methoxyphenyl)-N-methylethanamine
CID 53276193
N-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 112514037
5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol
CID 117301897
1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 10703654
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine
CID 116964692
methyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate
CID 116955433
2-(2-bromophenyl)-2-methoxy-N-methylethanamine
CID 62106932
N'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine
CID 116935201
1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene
CID 20549048
2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol
CID 112512368

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-methylphenyl)-2-methoxy-N-methylethanamine?
The IUPAC name of 2-(2,5-dimethoxy-4-methylphenyl)-2-methoxy-N-methylethanamine (CID 112512367) is 2-(2,5-dimethoxy-4-methylphenyl)-2-methoxy-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dimethoxy-4-methylphenyl)-2-methoxy-N-methylethanamine?
The canonical SMILES for 2-(2,5-dimethoxy-4-methylphenyl)-2-methoxy-N-methylethanamine is CNCC(OC)c1cc(OC)c(C)cc1OC.
What is the InChIKey of 2-(2,5-dimethoxy-4-methylphenyl)-2-methoxy-N-methylethanamine?
The InChIKey is SSAWUJASTATYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9-6-12(16-4)10(7-11(9)15-3)13(17-5)8-14-2/h6-7,13-14H,8H2,1-5H3.
What are the key properties of 2-(2,5-dimethoxy-4-methylphenyl)-2-methoxy-N-methylethanamine?
2-(2,5-dimethoxy-4-methylphenyl)-2-methoxy-N-methylethanamine has a molecular weight of 239.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-methylphenyl)-2-methoxy-N-methylethanamine is sourced from PubChem (CID 112512367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).