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

C15H20N2O2 — CID 83948422

IUPAC3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine
SMILESCCc1cn(CCCN)c2cc3c(cc12)OCCO3
InChIInChI=1S/C15H20N2O2/c1-2-11-10-17(5-3-4-16)13-9-15-14(8-12(11)13)18-6-7-19-15/h8-10H,2-7,16H2,1H3
InChIKeyRIRUCAYQJQYIMG-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.32
Rot. Bonds4

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

3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine (PubChem CID 83948422) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine.

Molecular Properties

Compound Name3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine
PubChem CID83948422
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine
SMILESCCc1cn(CCCN)c2cc3c(cc12)OCCO3
InChIInChI=1S/C15H20N2O2/c1-2-11-10-17(5-3-4-16)13-9-15-14(8-12(11)13)18-6-7-19-15/h8-10H,2-7,16H2,1H3
InChIKeyRIRUCAYQJQYIMG-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-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine
CID 83948412
3-(3-ethyl-5,6-dimethylindol-1-yl)propan-1-amine
CID 83948289
methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate
CID 83948430
2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid
CID 83944642
3-(3,5-diethylindol-1-yl)propan-1-amine
CID 83948751
3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine
CID 83948594
6-butyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid
CID 83947501
3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine
CID 83948348
3-(5-ethyl-3-propylindol-1-yl)propan-1-amine
CID 83948753
2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid
CID 83944609
3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
CID 83948403
6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid
CID 83947489

Frequently Asked Questions

What is the IUPAC name of 3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine?
The IUPAC name of 3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine (CID 83948422) is 3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine.
What is the SMILES notation for 3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine?
The canonical SMILES for 3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine is CCc1cn(CCCN)c2cc3c(cc12)OCCO3.
What is the InChIKey of 3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine?
The InChIKey is RIRUCAYQJQYIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-11-10-17(5-3-4-16)13-9-15-14(8-12(11)13)18-6-7-19-15/h8-10H,2-7,16H2,1H3.
What are the key properties of 3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine?
3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-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-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine is sourced from PubChem (CID 83948422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).