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

C13H19NO2 — CID 70125618

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine
SMILESCCCC(CN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H19NO2/c1-2-3-11(9-14)10-4-5-12-13(8-10)16-7-6-15-12/h4-5,8,11H,2-3,6-7,9,14H2,1H3
InChIKeyGROJYOFFHRLXDW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.30
Rot. Bonds4

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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine (PubChem CID 70125618) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine
PubChem CID70125618
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine
SMILESCCCC(CN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H19NO2/c1-2-3-11(9-14)10-4-5-12-13(8-10)16-7-6-15-12/h4-5,8,11H,2-3,6-7,9,14H2,1H3
InChIKeyGROJYOFFHRLXDW-UHFFFAOYSA-N
XLogP2.30
TPSA44.48 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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-3-ol
CID 65189758
4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
CID 83922100
(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-2-ol
CID 171268725
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
CID 28979698
1-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-2-ol
CID 82080447
6-(3-chlorohexan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 83051147
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylethane-1,2-diamine
CID 55030455
3-(4-tert-butylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 82140141
2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol
CID 83922113
6-(1-chlorobutan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 82081024
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 65184600
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propane-1,3-diamine
CID 83922116

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine (CID 70125618) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine is CCCC(CN)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine?
The InChIKey is GROJYOFFHRLXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-3-11(9-14)10-4-5-12-13(8-10)16-7-6-15-12/h4-5,8,11H,2-3,6-7,9,14H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine is sourced from PubChem (CID 70125618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).