N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine

C17H27NO3 — CID 104748410

IUPACN-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(COc1ccccc1OCC)C1CCOC1
InChIInChI=1S/C17H27NO3/c1-3-10-18-15(14-9-11-19-12-14)13-21-17-8-6-5-7-16(17)20-4-2/h5-8,14-15,18H,3-4,9-13H2,1-2H3
InChIKeyOITRDUPUVFIIHR-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.87
Rot. Bonds9

About N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine

N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 104748410) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID104748410
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(COc1ccccc1OCC)C1CCOC1
InChIInChI=1S/C17H27NO3/c1-3-10-18-15(14-9-11-19-12-14)13-21-17-8-6-5-7-16(17)20-4-2/h5-8,14-15,18H,3-4,9-13H2,1-2H3
InChIKeyOITRDUPUVFIIHR-UHFFFAOYSA-N
XLogP2.87
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 107657188
N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine
CID 104748399
N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine
CID 104748617
N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745738
N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448609
N-[1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 104748610
N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 63015432
N-[2-cyclopentyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448527
N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 104749295
2-(2-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748356
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104749186

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine (CID 104748410) is N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(COc1ccccc1OCC)C1CCOC1.
What is the InChIKey of N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is OITRDUPUVFIIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-10-18-15(14-9-11-19-12-14)13-21-17-8-6-5-7-16(17)20-4-2/h5-8,14-15,18H,3-4,9-13H2,1-2H3.
What are the key properties of N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine?
N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104748410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).