2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine

C15H23NO2 — CID 116869656

IUPAC2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine
SMILESCCOc1ccc(C2(CCNC)COC2)cc1C
InChIInChI=1S/C15H23NO2/c1-4-18-14-6-5-13(9-12(14)2)15(7-8-16-3)10-17-11-15/h5-6,9,16H,4,7-8,10-11H2,1-3H3
InChIKeyXJMPCLDHWBOICQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.27
Rot. Bonds6

About 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine

2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine (PubChem CID 116869656) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine
PubChem CID116869656
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine
SMILESCCOc1ccc(C2(CCNC)COC2)cc1C
InChIInChI=1S/C15H23NO2/c1-4-18-14-6-5-13(9-12(14)2)15(7-8-16-3)10-17-11-15/h5-6,9,16H,4,7-8,10-11H2,1-3H3
InChIKeyXJMPCLDHWBOICQ-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,4-dimethylphenyl)oxetan-3-yl]-N-methylethanamine
CID 116869633
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873822
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine
CID 116869361
N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112518586
3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine
CID 116870870
3-[3-(4-ethoxy-3-fluorophenyl)oxetan-3-yl]propan-1-ol
CID 116871682
N-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine
CID 116869650
2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid
CID 116874334
2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid
CID 116872058
5-[3-[2-(methylamino)ethyl]oxetan-3-yl]-3H-1,3-benzoxazol-2-one
CID 116869696
N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 115195723
3-(4-ethoxy-3-methylphenyl)-N-methylpropan-1-amine
CID 95439947

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine?
The IUPAC name of 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine (CID 116869656) is 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine is CCOc1ccc(C2(CCNC)COC2)cc1C.
What is the InChIKey of 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine?
The InChIKey is XJMPCLDHWBOICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-18-14-6-5-13(9-12(14)2)15(7-8-16-3)10-17-11-15/h5-6,9,16H,4,7-8,10-11H2,1-3H3.
What are the key properties of 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine?
2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine is sourced from PubChem (CID 116869656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).