1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine

C14H21NO2 — CID 63559434

IUPAC1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine
SMILESCCc1ccc(C(N)COC2CCOC2)cc1
InChIInChI=1S/C14H21NO2/c1-2-11-3-5-12(6-4-11)14(15)10-17-13-7-8-16-9-13/h3-6,13-14H,2,7-10,15H2,1H3
InChIKeyGHRUGJQQJIEZFZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.05
Rot. Bonds5

About 1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine

1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine (PubChem CID 63559434) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine
PubChem CID63559434
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine
SMILESCCc1ccc(C(N)COC2CCOC2)cc1
InChIInChI=1S/C14H21NO2/c1-2-11-3-5-12(6-4-11)14(15)10-17-13-7-8-16-9-13/h3-6,13-14H,2,7-10,15H2,1H3
InChIKeyGHRUGJQQJIEZFZ-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine
CID 63558840
1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine
CID 107523657
1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine
CID 61287973
2-cyclobutyloxy-1-(4-propylphenyl)ethanamine
CID 62139683
1-(4-ethylphenyl)-2-morpholin-3-ylethanamine
CID 116941455
3-[chloro-(4-ethylphenyl)methyl]oxolane
CID 61277504
N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63557627
N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine
CID 105350924
3-amino-N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119952304
2-cyclopentyloxy-1-(4-methylphenyl)ethanamine
CID 16787694
2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine
CID 114340843
2-(oxolan-3-yl)-1-(4-propylphenyl)ethanamine
CID 103986875

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine (CID 63559434) is 1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine is CCc1ccc(C(N)COC2CCOC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine?
The InChIKey is GHRUGJQQJIEZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-11-3-5-12(6-4-11)14(15)10-17-13-7-8-16-9-13/h3-6,13-14H,2,7-10,15H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine?
1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine is sourced from PubChem (CID 63559434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).