N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine

C15H23NO — CID 116869709

IUPACN-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine
SMILESCNCCC1(c2ccc(C)c(C)c2C)COC1
InChIInChI=1S/C15H23NO/c1-11-5-6-14(13(3)12(11)2)15(7-8-16-4)9-17-10-15/h5-6,16H,7-10H2,1-4H3
InChIKeyIYLYRLJBJWCCQL-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.49
Rot. Bonds4

About N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine

N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine (PubChem CID 116869709) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine
PubChem CID116869709
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine
SMILESCNCCC1(c2ccc(C)c(C)c2C)COC1
InChIInChI=1S/C15H23NO/c1-11-5-6-14(13(3)12(11)2)15(7-8-16-4)9-17-10-15/h5-6,16H,7-10H2,1-4H3
InChIKeyIYLYRLJBJWCCQL-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine
CID 116869315
2-[3-(3,4-dimethylphenyl)oxetan-3-yl]-N-methylethanamine
CID 116869633
2-[3-(4-methoxy-2,3,5-trimethylphenyl)oxetan-3-yl]-N-methylethanamine
CID 116869665
N-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine
CID 116872821
N-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine
CID 116869650
2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine
CID 116869656
2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine
CID 116869514
1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869271
[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine
CID 116963513
3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide
CID 116876228
[1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874955
2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine
CID 116869677

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine (CID 116869709) is N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine is CNCCC1(c2ccc(C)c(C)c2C)COC1.
What is the InChIKey of N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine?
The InChIKey is IYLYRLJBJWCCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-5-6-14(13(3)12(11)2)15(7-8-16-4)9-17-10-15/h5-6,16H,7-10H2,1-4H3.
What are the key properties of N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine?
N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine has a molecular weight of 233.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine is sourced from PubChem (CID 116869709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).