(1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine

C15H16N2O3 — CID 83127599

IUPAC(1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(OCc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C15H16N2O3/c1-10(16)13-4-3-12(7-17-13)18-8-11-2-5-14-15(6-11)20-9-19-14/h2-7,10H,8-9,16H2,1H3/t10-/m0/s1
InChIKeyYAHJNFLSPKCUNA-JTQLQIEISA-N
MW272.30 g/mol
LogP2.41
Rot. Bonds4

About (1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine

(1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine (PubChem CID 83127599) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine
PubChem CID83127599
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(OCc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C15H16N2O3/c1-10(16)13-4-3-12(7-17-13)18-8-11-2-5-14-15(6-11)20-9-19-14/h2-7,10H,8-9,16H2,1H3/t10-/m0/s1
InChIKeyYAHJNFLSPKCUNA-JTQLQIEISA-N
XLogP2.41
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-N-methylethanamine
CID 43285127
1-[2-(1,3-benzodioxol-5-ylmethoxy)phenyl]ethanamine
CID 43189048
4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine
CID 113368057
2-[4-(1,3-benzodioxol-5-yloxymethyl)phenyl]propan-1-amine
CID 105350223
5-(1,3-benzodioxol-5-ylmethoxy)-2-(4-octoxyphenyl)pyrimidine
CID 19050339
1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine
CID 62292141
[5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine
CID 55051241
[6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine
CID 66450197
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
1-(1,3-benzodioxol-5-yloxy)propan-2-amine
CID 21474843
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-5-methyl-1,2,4-oxadiazole
CID 17436419

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine (CID 83127599) is (1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine is C[C@H](N)c1ccc(OCc2ccc3c(c2)OCO3)cn1.
What is the InChIKey of (1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine?
The InChIKey is YAHJNFLSPKCUNA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10(16)13-4-3-12(7-17-13)18-8-11-2-5-14-15(6-11)20-9-19-14/h2-7,10H,8-9,16H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine?
(1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine has a molecular weight of 272.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83127599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).