N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine

C17H21NO2S — CID 61079304

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1cccc2c1OCCO2
InChIInChI=1S/C17H21NO2S/c1-2-7-18-15(11-13-6-10-21-12-13)14-4-3-5-16-17(14)20-9-8-19-16/h3-6,10,12,15,18H,2,7-9,11H2,1H3
InChIKeyHJPPVMLZTJQWPJ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.80
Rot. Bonds6

About N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 61079304) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID61079304
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1cccc2c1OCCO2
InChIInChI=1S/C17H21NO2S/c1-2-7-18-15(11-13-6-10-21-12-13)14-4-3-5-16-17(14)20-9-8-19-16/h3-6,10,12,15,18H,2,7-9,11H2,1H3
InChIKeyHJPPVMLZTJQWPJ-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine with MolForge

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105187245
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
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N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
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N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
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N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
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N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078925
N-[1-(4-fluoro-2-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 81276214
(3S)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-(ethylamino)propan-1-ol
CID 97177429
1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine
CID 105293760
N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079665
N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80645193
N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105137661

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine (CID 61079304) is N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)c1cccc2c1OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is HJPPVMLZTJQWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-2-7-18-15(11-13-6-10-21-12-13)14-4-3-5-16-17(14)20-9-8-19-16/h3-6,10,12,15,18H,2,7-9,11H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 303.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 61079304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).