1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine

C14H21NO3 — CID 116869271

IUPAC1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine
SMILESCNCC1(c2ccc(OC)c(C)c2OC)COC1
InChIInChI=1S/C14H21NO3/c1-10-12(16-3)6-5-11(13(10)17-4)14(7-15-2)8-18-9-14/h5-6,15H,7-9H2,1-4H3
InChIKeyFISRQSVUEXIAIO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.50
Rot. Bonds5

About 1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine

1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine (PubChem CID 116869271) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine
PubChem CID116869271
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine
SMILESCNCC1(c2ccc(OC)c(C)c2OC)COC1
InChIInChI=1S/C14H21NO3/c1-10-12(16-3)6-5-11(13(10)17-4)14(7-15-2)8-18-9-14/h5-6,15H,7-9H2,1-4H3
InChIKeyFISRQSVUEXIAIO-UHFFFAOYSA-N
XLogP1.50
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine
CID 116869315
1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869308
3-methoxy-3-(4-methoxy-2,3-dimethylphenyl)oxetane
CID 116875962
2-[3-(4-methoxy-2,3,5-trimethylphenyl)oxetan-3-yl]-N-methylethanamine
CID 116869665
1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869258
N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine
CID 116869709
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614
1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 62596777
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline
CID 115243877
3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol
CID 116873054
N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine
CID 115226861

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine (CID 116869271) is 1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine is CNCC1(c2ccc(OC)c(C)c2OC)COC1.
What is the InChIKey of 1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine?
The InChIKey is FISRQSVUEXIAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-12(16-3)6-5-11(13(10)17-4)14(7-15-2)8-18-9-14/h5-6,15H,7-9H2,1-4H3.
What are the key properties of 1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine?
1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine has a molecular weight of 251.33 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 116869271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).