1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine

C13H19NO2 — CID 43490454

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H19NO2/c1-3-11(14-4-2)10-5-6-12-13(9-10)16-8-7-15-12/h5-6,9,11,14H,3-4,7-8H2,1-2H3
InChIKeyGBALHQQIOJUSKW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.52
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine (PubChem CID 43490454) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
PubChem CID43490454
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H19NO2/c1-3-11(14-4-2)10-5-6-12-13(9-10)16-8-7-15-12/h5-6,9,11,14H,3-4,7-8H2,1-2H3
InChIKeyGBALHQQIOJUSKW-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propan-1-ol
CID 97031545
2-butan-2-ylsulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylethanamine
CID 64613831
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 79094602
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyloctan-1-amine
CID 43490459
2-tert-butylsulfinyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylethanamine
CID 64652140
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)ethyl]sulfanylbutan-2-ol
CID 107772568
methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(ethylamino)propanoate
CID 65235132
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(ethylamino)propanoic acid
CID 65234367
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-N-ethylpropan-1-amine
CID 105143404
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860962
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(naphthalen-2-ylmethyl)propan-1-amine
CID 97025846
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-pyridin-2-ylethanamine
CID 62791202

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine (CID 43490454) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine is CCNC(CC)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine?
The InChIKey is GBALHQQIOJUSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-11(14-4-2)10-5-6-12-13(9-10)16-8-7-15-12/h5-6,9,11,14H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 43490454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).