1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine

C15H19N3O2 — CID 16643653

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCc1cc(C)n(CC(N)c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H19N3O2/c1-10-7-11(2)18(17-10)9-13(16)12-3-4-14-15(8-12)20-6-5-19-14/h3-4,7-8,13H,5-6,9,16H2,1-2H3
InChIKeyHRBYPYCZELLKBF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.97
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine (PubChem CID 16643653) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine
PubChem CID16643653
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCc1cc(C)n(CC(N)c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H19N3O2/c1-10-7-11(2)18(17-10)9-13(16)12-3-4-14-15(8-12)20-6-5-19-14/h3-4,7-8,13H,5-6,9,16H2,1-2H3
InChIKeyHRBYPYCZELLKBF-UHFFFAOYSA-N
XLogP1.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine
CID 16792692
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 94016885
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-imidazol-1-ylethanamine
CID 16641652
2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16783595
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine;hydrochloride
CID 171226605
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxypropan-1-amine
CID 62790727
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
CID 28979698
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbutane-1,3-diamine
CID 116933523
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 115559534
1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163944
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfinylethanamine
CID 64655817
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine
CID 16788978

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine (CID 16643653) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine is Cc1cc(C)n(CC(N)c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine?
The InChIKey is HRBYPYCZELLKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-7-11(2)18(17-10)9-13(16)12-3-4-14-15(8-12)20-6-5-19-14/h3-4,7-8,13H,5-6,9,16H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine has a molecular weight of 273.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 16643653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).