N-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine

C15H23NO2 — CID 55218952

IUPACN-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine
SMILESCCNC(COC1CCOC1)c1cccc(C)c1
InChIInChI=1S/C15H23NO2/c1-3-16-15(11-18-14-7-8-17-10-14)13-6-4-5-12(2)9-13/h4-6,9,14-16H,3,7-8,10-11H2,1-2H3
InChIKeyLTDIVVVVFTUKJY-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.45
Rot. Bonds6

About N-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine

N-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine (PubChem CID 55218952) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine
PubChem CID55218952
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine
SMILESCCNC(COC1CCOC1)c1cccc(C)c1
InChIInChI=1S/C15H23NO2/c1-3-16-15(11-18-14-7-8-17-10-14)13-6-4-5-12(2)9-13/h4-6,9,14-16H,3,7-8,10-11H2,1-2H3
InChIKeyLTDIVVVVFTUKJY-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(oxolan-3-yloxy)ethanamine
CID 63558021
N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63557627
N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743687
N-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 102606046
N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331704
N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine
CID 102606127
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
1-(4-ethoxyphenyl)-N-ethyl-2-(oxetan-3-yloxy)ethanamine
CID 102606061
N-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine
CID 63558838
N-ethyl-3-(3-methylbutoxy)-1-(3-methylphenyl)propan-1-amine
CID 55095072
N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 55098798
2-cyclobutyloxy-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethylethanamine
CID 62116838

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine (CID 55218952) is N-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine is CCNC(COC1CCOC1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine?
The InChIKey is LTDIVVVVFTUKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-16-15(11-18-14-7-8-17-10-14)13-6-4-5-12(2)9-13/h4-6,9,14-16H,3,7-8,10-11H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine?
N-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine is sourced from PubChem (CID 55218952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).