N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine

C15H23NO3 — CID 63557627

IUPACN-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine
SMILESCCNC(COC1CCOC1)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-3-16-15(11-19-14-8-9-18-10-14)12-4-6-13(17-2)7-5-12/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyMLAKGJMUJOADMW-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.15
Rot. Bonds7

About N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine

N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine (PubChem CID 63557627) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine
PubChem CID63557627
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine
SMILESCCNC(COC1CCOC1)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-3-16-15(11-19-14-8-9-18-10-14)12-4-6-13(17-2)7-5-12/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyMLAKGJMUJOADMW-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine
CID 55218952
1-(4-ethoxyphenyl)-N-ethyl-2-(oxetan-3-yloxy)ethanamine
CID 102606061
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 65458581
N-ethyl-1-(4-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66392491
1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987375
N-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine
CID 63558838
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
2-cyclobutyloxy-N-ethyl-1-(4-propylphenyl)ethanamine
CID 62116839
N-[1-(4-methoxyphenyl)propyl]oxan-3-amine
CID 63359865
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-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine?
The IUPAC name of N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine (CID 63557627) is N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine?
The canonical SMILES for N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine is CCNC(COC1CCOC1)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine?
The InChIKey is MLAKGJMUJOADMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-16-15(11-19-14-8-9-18-10-14)12-4-6-13(17-2)7-5-12/h4-7,14-16H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine?
N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine is sourced from PubChem (CID 63557627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).