1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine

C14H21NO2 — CID 116869361

IUPAC1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine
SMILESCCOc1ccc(C2(C(C)N)COC2)cc1C
InChIInChI=1S/C14H21NO2/c1-4-17-13-6-5-12(7-10(13)2)14(11(3)15)8-16-9-14/h5-7,11H,4,8-9,15H2,1-3H3
InChIKeyHGESXYLEMZVCHB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.01
Rot. Bonds4

About 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine

1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine (PubChem CID 116869361) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine
PubChem CID116869361
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine
SMILESCCOc1ccc(C2(C(C)N)COC2)cc1C
InChIInChI=1S/C14H21NO2/c1-4-17-13-6-5-12(7-10(13)2)14(11(3)15)8-16-9-14/h5-7,11H,4,8-9,15H2,1-3H3
InChIKeyHGESXYLEMZVCHB-UHFFFAOYSA-N
XLogP2.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873822
2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine
CID 116869656
N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112518586
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine
CID 116870870
1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine
CID 116869429
1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 82286246
3-[(4-ethoxy-3-methylphenyl)methyl]oxetane-3-carbonitrile
CID 116929963
1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
CID 116859676
ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate
CID 116947153

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine?
The IUPAC name of 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine (CID 116869361) is 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine.
What is the SMILES notation for 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine?
The canonical SMILES for 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine is CCOc1ccc(C2(C(C)N)COC2)cc1C.
What is the InChIKey of 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine?
The InChIKey is HGESXYLEMZVCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-17-13-6-5-12(7-10(13)2)14(11(3)15)8-16-9-14/h5-7,11H,4,8-9,15H2,1-3H3.
What are the key properties of 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine?
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine is sourced from PubChem (CID 116869361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).