2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine

C13H16N2O2 — CID 82495727

IUPAC2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine
SMILESCC(CN)c1c[nH]c2cc3c(cc12)OCCO3
InChIInChI=1S/C13H16N2O2/c1-8(6-14)10-7-15-11-5-13-12(4-9(10)11)16-2-3-17-13/h4-5,7-8,15H,2-3,6,14H2,1H3
InChIKeyWCYCNZIMLKDCHT-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.00
Rot. Bonds2

About 2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine

2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine (PubChem CID 82495727) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine
PubChem CID82495727
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine
SMILESCC(CN)c1c[nH]c2cc3c(cc12)OCCO3
InChIInChI=1S/C13H16N2O2/c1-8(6-14)10-7-15-11-5-13-12(4-9(10)11)16-2-3-17-13/h4-5,7-8,15H,2-3,6,14H2,1H3
InChIKeyWCYCNZIMLKDCHT-UHFFFAOYSA-N
XLogP2.00
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine with MolForge

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Related Compounds

3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol
CID 23928157
7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117298496
2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 13060
2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine
CID 117351497
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
N-[2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)ethyl]propan-2-amine
CID 82500566
2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117316293
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117298493
2-(5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117343376
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117432680
5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene
CID 20661294

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine?
The IUPAC name of 2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine (CID 82495727) is 2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine.
What is the SMILES notation for 2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine?
The canonical SMILES for 2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine is CC(CN)c1c[nH]c2cc3c(cc12)OCCO3.
What is the InChIKey of 2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine?
The InChIKey is WCYCNZIMLKDCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(6-14)10-7-15-11-5-13-12(4-9(10)11)16-2-3-17-13/h4-5,7-8,15H,2-3,6,14H2,1H3.
What are the key properties of 2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine?
2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine has a molecular weight of 232.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine is sourced from PubChem (CID 82495727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).