5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole

C15H21NO3 — CID 103413319

IUPAC5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole
SMILESCOCCOCCCn1ccc2cc(OC)ccc21
InChIInChI=1S/C15H21NO3/c1-17-10-11-19-9-3-7-16-8-6-13-12-14(18-2)4-5-15(13)16/h4-6,8,12H,3,7,9-11H2,1-2H3
InChIKeyJNNSYULGDSSXTI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.70
Rot. Bonds8

About 5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole

5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole (PubChem CID 103413319) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole.

Molecular Properties

Compound Name5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole
PubChem CID103413319
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole
SMILESCOCCOCCCn1ccc2cc(OC)ccc21
InChIInChI=1S/C15H21NO3/c1-17-10-11-19-9-3-7-16-8-6-13-12-14(18-2)4-5-15(13)16/h4-6,8,12H,3,7,9-11H2,1-2H3
InChIKeyJNNSYULGDSSXTI-UHFFFAOYSA-N
XLogP2.70
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Melatonin
CID 896
5-Methoxytryptamine
CID 1833
O-Methylbufotenine
CID 1832
5-Methoxy-N,N-Diisopropyltryptamine
CID 151182
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
5-Methoxytryptophol
CID 12835
5-Methoxyindole
CID 13872
5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine
CID 27965
5-(Benzyloxy)tryptamine
CID 89576
5-MeO-DALT
CID 50878551
1H-Indole-3-ethanamine, 5-methoxy-, hydrochloride (1:?)
CID 6198
5-Methoxy-N,N,2-trimethyl-1H-indole-3-ethanamine
CID 49756

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole?
The IUPAC name of 5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole (CID 103413319) is 5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole.
What is the SMILES notation for 5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole?
The canonical SMILES for 5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole is COCCOCCCn1ccc2cc(OC)ccc21.
What is the InChIKey of 5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole?
The InChIKey is JNNSYULGDSSXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-17-10-11-19-9-3-7-16-8-6-13-12-14(18-2)4-5-15(13)16/h4-6,8,12H,3,7,9-11H2,1-2H3.
What are the key properties of 5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole?
5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole has a molecular weight of 263.34 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole is sourced from PubChem (CID 103413319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).