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

C15H20N2O2 — CID 83948412

IUPAC3-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine
SMILESCCn1cc(CCCN)c2cc3c(cc21)OCCO3
InChIInChI=1S/C15H20N2O2/c1-2-17-10-11(4-3-5-16)12-8-14-15(9-13(12)17)19-7-6-18-14/h8-10H,2-7,16H2,1H3
InChIKeyGTUNHJGUMGPGGX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.32
Rot. Bonds4

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

3-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine (PubChem CID 83948412) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine
PubChem CID83948412
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine
SMILESCCn1cc(CCCN)c2cc3c(cc21)OCCO3
InChIInChI=1S/C15H20N2O2/c1-2-17-10-11(4-3-5-16)12-8-14-15(9-13(12)17)19-7-6-18-14/h8-10H,2-7,16H2,1H3
InChIKeyGTUNHJGUMGPGGX-UHFFFAOYSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine
CID 83948422
3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117120954
methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate
CID 83948430
6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carbonitrile
CID 11499585
6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid
CID 83947489
2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid
CID 83944642
3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
CID 83948403
3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine
CID 170867012
3-(1-ethyl-3-methylindol-6-yl)propan-1-amine
CID 117205048
3-(1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 117197455
3-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-amine
CID 117359483
2-morpholin-4-ylethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 15048132

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine?
The IUPAC name of 3-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine (CID 83948412) is 3-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine.
What is the SMILES notation for 3-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine?
The canonical SMILES for 3-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine is CCn1cc(CCCN)c2cc3c(cc21)OCCO3.
What is the InChIKey of 3-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine?
The InChIKey is GTUNHJGUMGPGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-17-10-11(4-3-5-16)12-8-14-15(9-13(12)17)19-7-6-18-14/h8-10H,2-7,16H2,1H3.
What are the key properties of 3-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine?
3-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine is sourced from PubChem (CID 83948412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).