3-(5,6-diethoxyindol-1-yl)propan-1-amine

C15H22N2O2 — CID 83948448

IUPAC3-(5,6-diethoxyindol-1-yl)propan-1-amine
SMILESCCOc1cc2ccn(CCCN)c2cc1OCC
InChIInChI=1S/C15H22N2O2/c1-3-18-14-10-12-6-9-17(8-5-7-16)13(12)11-15(14)19-4-2/h6,9-11H,3-5,7-8,16H2,1-2H3
InChIKeySZLZRZGUTFHOEJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.79
Rot. Bonds7

About 3-(5,6-diethoxyindol-1-yl)propan-1-amine

3-(5,6-diethoxyindol-1-yl)propan-1-amine (PubChem CID 83948448) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(5,6-diethoxyindol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5,6-diethoxyindol-1-yl)propan-1-amine
PubChem CID83948448
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(5,6-diethoxyindol-1-yl)propan-1-amine
SMILESCCOc1cc2ccn(CCCN)c2cc1OCC
InChIInChI=1S/C15H22N2O2/c1-3-18-14-10-12-6-9-17(8-5-7-16)13(12)11-15(14)19-4-2/h6,9-11H,3-5,7-8,16H2,1-2H3
InChIKeySZLZRZGUTFHOEJ-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-diethoxyindol-1-yl)propan-1-amine?
The IUPAC name of 3-(5,6-diethoxyindol-1-yl)propan-1-amine (CID 83948448) is 3-(5,6-diethoxyindol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(5,6-diethoxyindol-1-yl)propan-1-amine?
The canonical SMILES for 3-(5,6-diethoxyindol-1-yl)propan-1-amine is CCOc1cc2ccn(CCCN)c2cc1OCC.
What is the InChIKey of 3-(5,6-diethoxyindol-1-yl)propan-1-amine?
The InChIKey is SZLZRZGUTFHOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-18-14-10-12-6-9-17(8-5-7-16)13(12)11-15(14)19-4-2/h6,9-11H,3-5,7-8,16H2,1-2H3.
What are the key properties of 3-(5,6-diethoxyindol-1-yl)propan-1-amine?
3-(5,6-diethoxyindol-1-yl)propan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-diethoxyindol-1-yl)propan-1-amine is sourced from PubChem (CID 83948448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).