2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-1-amine

C14H16N2O2 — CID 84631211

IUPAC2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-1-amine
SMILESCC(CN)c1ccc2cc3c(cc2n1)OCCO3
InChIInChI=1S/C14H16N2O2/c1-9(8-15)11-3-2-10-6-13-14(7-12(10)16-11)18-5-4-17-13/h2-3,6-7,9H,4-5,8,15H2,1H3
InChIKeyFTIBDHQHJONVPV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.07
Rot. Bonds2

About 2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-1-amine

2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-1-amine (PubChem CID 84631211) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-1-amine
PubChem CID84631211
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-1-amine
SMILESCC(CN)c1ccc2cc3c(cc2n1)OCCO3
InChIInChI=1S/C14H16N2O2/c1-9(8-15)11-3-2-10-6-13-14(7-12(10)16-11)18-5-4-17-13/h2-3,6-7,9H,4-5,8,15H2,1H3
InChIKeyFTIBDHQHJONVPV-UHFFFAOYSA-N
XLogP2.07
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-2-amine
CID 82244039
7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117298496
4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pentan-1-amine
CID 104683311
(2S)-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine
CID 130927222
2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine
CID 117351497
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine
CID 81073274
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-3-methylbutan-1-amine
CID 65220910
2-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-N-methylpropane-1,2-diamine
CID 106543522
2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117316293
3-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-amine
CID 82145837
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117356386
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]dioxino[2,3-g]quinolin-7-yl)propan-1-amine?
The IUPAC name of 2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-1-amine (CID 84631211) is 2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-1-amine is CC(CN)c1ccc2cc3c(cc2n1)OCCO3.
What is the InChIKey of 2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-1-amine?
The InChIKey is FTIBDHQHJONVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(8-15)11-3-2-10-6-13-14(7-12(10)16-11)18-5-4-17-13/h2-3,6-7,9H,4-5,8,15H2,1H3.
What are the key properties of 2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-1-amine?
2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-1-amine has a molecular weight of 244.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-1-amine is sourced from PubChem (CID 84631211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).