N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine

C17H27NO2 — CID 104659878

IUPACN-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine
SMILESCCCOc1ccccc1C(CC1CCCO1)NCC
InChIInChI=1S/C17H27NO2/c1-3-11-20-17-10-6-5-9-15(17)16(18-4-2)13-14-8-7-12-19-14/h5-6,9-10,14,16,18H,3-4,7-8,11-13H2,1-2H3
InChIKeyLVVSNPFAJFAFLC-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.70
Rot. Bonds8

About N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine

N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine (PubChem CID 104659878) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine
PubChem CID104659878
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine
SMILESCCCOc1ccccc1C(CC1CCCO1)NCC
InChIInChI=1S/C17H27NO2/c1-3-11-20-17-10-6-5-9-15(17)16(18-4-2)13-14-8-7-12-19-14/h5-6,9-10,14,16,18H,3-4,7-8,11-13H2,1-2H3
InChIKeyLVVSNPFAJFAFLC-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethyl]hydrazine
CID 105198546
N-ethyl-1-(2-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166709
3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine
CID 105035854
1-[2-(oxolan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine
CID 43279172
2-(2-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61049972
N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
CID 104660013
1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine
CID 43591765
[1-(2-methoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267281
N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035932
(1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158891
1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158484
N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine
CID 116545086

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine (CID 104659878) is N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine is CCCOc1ccccc1C(CC1CCCO1)NCC.
What is the InChIKey of N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine?
The InChIKey is LVVSNPFAJFAFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-11-20-17-10-6-5-9-15(17)16(18-4-2)13-14-8-7-12-19-14/h5-6,9-10,14,16,18H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine?
N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine is sourced from PubChem (CID 104659878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).