1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine

C14H21NO2 — CID 103986722

IUPAC1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine
SMILESCCOc1cccc(C(N)CC2CCOC2)c1
InChIInChI=1S/C14H21NO2/c1-2-17-13-5-3-4-12(9-13)14(15)8-11-6-7-16-10-11/h3-5,9,11,14H,2,6-8,10,15H2,1H3
InChIKeyMXFJISYLMZBHHD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.51
Rot. Bonds5

About 1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine

1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine (PubChem CID 103986722) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine
PubChem CID103986722
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine
SMILESCCOc1cccc(C(N)CC2CCOC2)c1
InChIInChI=1S/C14H21NO2/c1-2-17-13-5-3-4-12(9-13)14(15)8-11-6-7-16-10-11/h3-5,9,11,14H,2,6-8,10,15H2,1H3
InChIKeyMXFJISYLMZBHHD-UHFFFAOYSA-N
XLogP2.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 113362131
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
CID 105022380
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62583804
2-(oxolan-3-yl)-1-(4-propylphenyl)ethanamine
CID 103986875
1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935050
2-(oxolan-3-yl)-1-quinolin-6-ylethanamine
CID 103986818
2-(oxolan-3-yl)-1-(4-phenylphenyl)ethanamine
CID 103986749
(1R)-2-cyclopropyl-1-(3-phenylmethoxyphenyl)ethanamine
CID 171211270
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169721
(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171225239

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine (CID 103986722) is 1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine is CCOc1cccc(C(N)CC2CCOC2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine?
The InChIKey is MXFJISYLMZBHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-17-13-5-3-4-12(9-13)14(15)8-11-6-7-16-10-11/h3-5,9,11,14H,2,6-8,10,15H2,1H3.
What are the key properties of 1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine?
1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 103986722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).