1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine

C15H19N3O2 — CID 103010593

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCn1nccc1CCC(N)C1COc2ccccc2O1
InChIInChI=1S/C15H19N3O2/c1-18-11(8-9-17-18)6-7-12(16)15-10-19-13-4-2-3-5-14(13)20-15/h2-5,8-9,12,15H,6-7,10,16H2,1H3
InChIKeyBTINXRCKGLDFHB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.52
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103010593) 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-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103010593
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCn1nccc1CCC(N)C1COc2ccccc2O1
InChIInChI=1S/C15H19N3O2/c1-18-11(8-9-17-18)6-7-12(16)15-10-19-13-4-2-3-5-14(13)20-15/h2-5,8-9,12,15H,6-7,10,16H2,1H3
InChIKeyBTINXRCKGLDFHB-UHFFFAOYSA-N
XLogP1.52
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103025971
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012035
1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-yn-1-amine
CID 65352505
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,4,4-trifluorobutan-1-amine
CID 65352554
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpent-4-en-1-amine
CID 114474946
(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylethanamine
CID 124513819
4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
CID 103011097
(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-2-ylethanamine
CID 124513814
2,3-dihydro-1,4-benzodioxin-3-yl-(1-methylpyrazol-4-yl)methanamine
CID 43124178
N-[2,3-dihydro-1,4-benzodioxin-3-yl-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 65351567
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823829
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65352402

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103010593) is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine is Cn1nccc1CCC(N)C1COc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is BTINXRCKGLDFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-11(8-9-17-18)6-7-12(16)15-10-19-13-4-2-3-5-14(13)20-15/h2-5,8-9,12,15H,6-7,10,16H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 1.52, 4 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-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103010593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).