N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine

C15H23NO3 — CID 102606127

IUPACN-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine
SMILESCCNC(COC1COC1)c1cc(C)ccc1OC
InChIInChI=1S/C15H23NO3/c1-4-16-14(10-19-12-8-18-9-12)13-7-11(2)5-6-15(13)17-3/h5-7,12,14,16H,4,8-10H2,1-3H3
InChIKeyMWMJFIYROTZFMG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.07
Rot. Bonds7

About N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine

N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine (PubChem CID 102606127) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine
PubChem CID102606127
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine
SMILESCCNC(COC1COC1)c1cc(C)ccc1OC
InChIInChI=1S/C15H23NO3/c1-4-16-14(10-19-12-8-18-9-12)13-7-11(2)5-6-15(13)17-3/h5-7,12,14,16H,4,8-10H2,1-3H3
InChIKeyMWMJFIYROTZFMG-UHFFFAOYSA-N
XLogP2.07
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(2-methoxy-5-methylphenyl)-4-methylpentan-1-amine
CID 43626298
N-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine
CID 114058381
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145
2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 114457630
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
CID 114874388
1-(2-methoxy-5-methylphenyl)-2-(oxolan-3-yloxy)ethanol
CID 63558284
N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82961009
1-(4-ethoxyphenyl)-N-ethyl-2-(oxetan-3-yloxy)ethanamine
CID 102606061
N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 63011043
2-(4-chlorophenyl)-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43626354
N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115864174
N-ethyl-3-(2-methoxyethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 102928464

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine?
The IUPAC name of N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine (CID 102606127) is N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine?
The canonical SMILES for N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine is CCNC(COC1COC1)c1cc(C)ccc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine?
The InChIKey is MWMJFIYROTZFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-16-14(10-19-12-8-18-9-12)13-7-11(2)5-6-15(13)17-3/h5-7,12,14,16H,4,8-10H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine?
N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine is sourced from PubChem (CID 102606127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).