N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine

C17H21NO3 — CID 62633572

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine
SMILESCCC(NCCc1ccc2c(c1)OCCO2)c1ccco1
InChIInChI=1S/C17H21NO3/c1-2-14(15-4-3-9-19-15)18-8-7-13-5-6-16-17(12-13)21-11-10-20-16/h3-6,9,12,14,18H,2,7-8,10-11H2,1H3
InChIKeyOOJHHBWQEXPBOP-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.33
Rot. Bonds6

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine (PubChem CID 62633572) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine
PubChem CID62633572
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine
SMILESCCC(NCCc1ccc2c(c1)OCCO2)c1ccco1
InChIInChI=1S/C17H21NO3/c1-2-14(15-4-3-9-19-15)18-8-7-13-5-6-16-17(12-13)21-11-10-20-16/h3-6,9,12,14,18H,2,7-8,10-11H2,1H3
InChIKeyOOJHHBWQEXPBOP-UHFFFAOYSA-N
XLogP3.33
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 55097343
(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine
CID 28643569
1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 80682343
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206548
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]pentanenitrile
CID 43368462
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine
CID 115706288
N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 106169372
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43824553
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(furan-2-yl)ethanamine
CID 43395343
N-(2-cyclopentylethyl)-1-(furan-2-yl)propan-1-amine
CID 62633625
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]propan-2-ol
CID 60884759
4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
CID 62633253

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine (CID 62633572) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine is CCC(NCCc1ccc2c(c1)OCCO2)c1ccco1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine?
The InChIKey is OOJHHBWQEXPBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-14(15-4-3-9-19-15)18-8-7-13-5-6-16-17(12-13)21-11-10-20-16/h3-6,9,12,14,18H,2,7-8,10-11H2,1H3.
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 62633572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).