2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]thiophen-3-amine

C14H16N2O2S — CID 66387107

IUPAC2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNCc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H16N2O2S/c15-11-3-6-19-14(11)9-16-8-10-1-2-12-13(7-10)18-5-4-17-12/h1-3,6-7,16H,4-5,8-9,15H2
InChIKeyIDCQJAAVOCSSKT-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.39
Rot. Bonds4

About 2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]thiophen-3-amine

2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]thiophen-3-amine (PubChem CID 66387107) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]thiophen-3-amine
PubChem CID66387107
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNCc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H16N2O2S/c15-11-3-6-19-14(11)9-16-8-10-1-2-12-13(7-10)18-5-4-17-12/h1-3,6-7,16H,4-5,8-9,15H2
InChIKeyIDCQJAAVOCSSKT-UHFFFAOYSA-N
XLogP2.39
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
N-(chloromethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 115262976
N-[(3-aminothiophen-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 66385101
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-naphthalen-2-ylmethanamine
CID 134033259
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-fluorophenyl)methyl]methanamine
CID 28617291
N-[(5-chlorofuran-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 60659002
N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 28643615
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)thiohydroxylamine
CID 163890520
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)methanediamine
CID 115225690
1-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)methanamine
CID 28643591
N'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1,4-diamine
CID 60894893
4-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]benzonitrile
CID 28643577

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]thiophen-3-amine (CID 66387107) is 2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]thiophen-3-amine is Nc1ccsc1CNCc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]thiophen-3-amine?
The InChIKey is IDCQJAAVOCSSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c15-11-3-6-19-14(11)9-16-8-10-1-2-12-13(7-10)18-5-4-17-12/h1-3,6-7,16H,4-5,8-9,15H2.
What are the key properties of 2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]thiophen-3-amine?
2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]thiophen-3-amine has a molecular weight of 276.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 66387107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).