1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine

C14H15N3O2 — CID 62762166

IUPAC1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine
SMILESCC(NCc1cnccn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H15N3O2/c1-10(17-8-12-7-15-4-5-16-12)11-2-3-13-14(6-11)19-9-18-13/h2-7,10,17H,8-9H2,1H3
InChIKeyXRIFOEQYCDAXDP-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.06
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine

1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine (PubChem CID 62762166) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine
PubChem CID62762166
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine
SMILESCC(NCc1cnccn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H15N3O2/c1-10(17-8-12-7-15-4-5-16-12)11-2-3-13-14(6-11)19-9-18-13/h2-7,10,17H,8-9H2,1H3
InChIKeyXRIFOEQYCDAXDP-UHFFFAOYSA-N
XLogP2.06
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)butan-2-amine
CID 167849866
1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62763603
1-(1,3-benzodioxol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 62755414
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43195700
1-(1,3-benzodioxol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393940
(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81348280
1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896071
(1R)-1-(1,3-benzodioxol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 93263726
(1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81366845
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497
2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol
CID 29083160
5-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 119114085

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine (CID 62762166) is 1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine is CC(NCc1cnccn1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine?
The InChIKey is XRIFOEQYCDAXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(17-8-12-7-15-4-5-16-12)11-2-3-13-14(6-11)19-9-18-13/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine?
1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine has a molecular weight of 257.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine is sourced from PubChem (CID 62762166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).