3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine

C15H22N2O2 — CID 83948710

IUPAC3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine
SMILESCCOc1cc2[nH]cc(CCCN)c2cc1OCC
InChIInChI=1S/C15H22N2O2/c1-3-18-14-8-12-11(6-5-7-16)10-17-13(12)9-15(14)19-4-2/h8-10,17H,3-7,16H2,1-2H3
InChIKeyBNDUCSPDIRKDHI-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.86
Rot. Bonds7

About 3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine

3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine (PubChem CID 83948710) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine
PubChem CID83948710
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine
SMILESCCOc1cc2[nH]cc(CCCN)c2cc1OCC
InChIInChI=1S/C15H22N2O2/c1-3-18-14-8-12-11(6-5-7-16)10-17-13(12)9-15(14)19-4-2/h8-10,17H,3-7,16H2,1-2H3
InChIKeyBNDUCSPDIRKDHI-UHFFFAOYSA-N
XLogP2.86
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-ethoxy-1H-indol-3-yl)propan-1-amine
CID 82374015
3-(4-ethoxy-1H-indol-3-yl)propan-1-amine
CID 83917405
3-bromo-6,7-diethoxy-1H-quinolin-4-one
CID 114759296
3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine
CID 83968694
3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine
CID 171474993
5,6-bis(phenylmethoxy)-3-propyl-1H-indole
CID 134391777
3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 154878767
2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine
CID 75465017
6,7-diethoxy-3-iodo-1H-quinolin-4-one
CID 102614933
2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
CID 15342178
3-(4-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263179
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine (CID 83948710) is 3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine is CCOc1cc2[nH]cc(CCCN)c2cc1OCC.
What is the InChIKey of 3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine?
The InChIKey is BNDUCSPDIRKDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-18-14-8-12-11(6-5-7-16)10-17-13(12)9-15(14)19-4-2/h8-10,17H,3-7,16H2,1-2H3.
What are the key properties of 3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine?
3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 83948710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).