1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine

C17H19NO3 — CID 43364260

IUPAC1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine
SMILESCCc1ccccc1OCC(N)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H19NO3/c1-2-12-5-3-4-6-15(12)19-10-14(18)13-7-8-16-17(9-13)21-11-20-16/h3-9,14H,2,10-11,18H2,1H3
InChIKeyPMOLVJLNNUKXEP-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.06
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine

1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine (PubChem CID 43364260) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine
PubChem CID43364260
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine
SMILESCCc1ccccc1OCC(N)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H19NO3/c1-2-12-5-3-4-6-15(12)19-10-14(18)13-7-8-16-17(9-13)21-11-20-16/h3-9,14H,2,10-11,18H2,1H3
InChIKeyPMOLVJLNNUKXEP-UHFFFAOYSA-N
XLogP3.06
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2-(2-methylphenoxy)ethanamine
CID 16789877
2-(2-ethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162317712
2-(2-ethylphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 43364268
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dimethylphenoxy)ethanamine
CID 16786500
1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine
CID 43184290
1-(1,3-benzodioxol-5-yl)-2-(3-methylbutoxy)ethanamine
CID 43184014
2-(1,3-benzodioxol-5-yloxy)-1-(4-methoxyphenyl)ethanamine
CID 43211655
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dimethylphenoxy)ethanamine
CID 16787877
(1S)-1-(1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 55278725
(1S)-1-(1,3-benzodioxol-5-yl)pentan-1-amine;hydrochloride
CID 171236418
1-(1,3-benzodioxol-5-yl)-3-methylbutan-1-amine
CID 82048703
1-(1,3-benzodioxol-5-yl)-N'-ethyl-N'-phenylethane-1,2-diamine
CID 16786557

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine (CID 43364260) is 1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine is CCc1ccccc1OCC(N)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine?
The InChIKey is PMOLVJLNNUKXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-12-5-3-4-6-15(12)19-10-14(18)13-7-8-16-17(9-13)21-11-20-16/h3-9,14H,2,10-11,18H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine?
1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine has a molecular weight of 285.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine is sourced from PubChem (CID 43364260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).