N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine

C13H19NO2 — CID 115669729

IUPACN-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1OC1COC1
InChIInChI=1S/C13H19NO2/c1-3-14-10(2)12-6-4-5-7-13(12)16-11-8-15-9-11/h4-7,10-11,14H,3,8-9H2,1-2H3
InChIKeyOKHSJQZUIBSISW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.13
Rot. Bonds5

About N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine

N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine (PubChem CID 115669729) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine
PubChem CID115669729
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1OC1COC1
InChIInChI=1S/C13H19NO2/c1-3-14-10(2)12-6-4-5-7-13(12)16-11-8-15-9-11/h4-7,10-11,14H,3,8-9H2,1-2H3
InChIKeyOKHSJQZUIBSISW-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[1-(ethylamino)ethyl]phenoxy]oxolan-3-ol
CID 114266674
1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 64735115
1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 114341296
1-[2-(oxetan-3-yloxy)phenyl]ethanamine
CID 83484227
2-[2-(oxetan-3-yloxy)phenyl]propan-1-ol
CID 117297539
N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556969
N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
CID 43279591
(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007357
1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine
CID 107134357
3-(2-methyl-3-propan-2-ylphenoxy)oxetane
CID 166788212
N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine
CID 107134501
N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine
CID 61287998

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine (CID 115669729) is N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine is CCNC(C)c1ccccc1OC1COC1.
What is the InChIKey of N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine?
The InChIKey is OKHSJQZUIBSISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-14-10(2)12-6-4-5-7-13(12)16-11-8-15-9-11/h4-7,10-11,14H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine?
N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine is sourced from PubChem (CID 115669729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).