2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine

C15H23NO — CID 116869514

IUPAC2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine
SMILESCc1ccc(C2(C(C)(C)N)COC2)c(C)c1C
InChIInChI=1S/C15H23NO/c1-10-6-7-13(12(3)11(10)2)15(8-17-9-15)14(4,5)16/h6-7H,8-9,16H2,1-5H3
InChIKeyDFZWMEJTZXYTMU-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.62
Rot. Bonds2

About 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine

2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine (PubChem CID 116869514) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine
PubChem CID116869514
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine
SMILESCc1ccc(C2(C(C)(C)N)COC2)c(C)c1C
InChIInChI=1S/C15H23NO/c1-10-6-7-13(12(3)11(10)2)15(8-17-9-15)14(4,5)16/h6-7H,8-9,16H2,1-5H3
InChIKeyDFZWMEJTZXYTMU-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine 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
N-methyl-3-(2,3,4-trimethylphenyl)oxetan-3-amine
CID 116872821
3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide
CID 116876228
2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine
CID 116869440
2-[3-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-amine
CID 116869512
N-methyl-2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]ethanamine
CID 116869709
[1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874955
[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine
CID 116963513
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2,3,4-trimethylphenyl)methanamine
CID 115249465
2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
CID 116869495
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
[3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol
CID 116944873

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine?
The IUPAC name of 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine (CID 116869514) is 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine?
The canonical SMILES for 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine is Cc1ccc(C2(C(C)(C)N)COC2)c(C)c1C.
What is the InChIKey of 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine?
The InChIKey is DFZWMEJTZXYTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-6-7-13(12(3)11(10)2)15(8-17-9-15)14(4,5)16/h6-7H,8-9,16H2,1-5H3.
What are the key properties of 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine?
2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine is sourced from PubChem (CID 116869514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).