2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine

C13H20N2O — CID 11806221

IUPAC2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)C(CCN(C)C)CN2
InChIInChI=1S/C13H20N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8,10,14H,6-7,9H2,1-3H3
InChIKeyKLJAXTVFYKOOCM-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.16
Rot. Bonds4

About 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine

2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 11806221) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
PubChem CID11806221
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)C(CCN(C)C)CN2
InChIInChI=1S/C13H20N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8,10,14H,6-7,9H2,1-3H3
InChIKeyKLJAXTVFYKOOCM-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine (CID 11806221) is 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine is COc1ccc2c(c1)C(CCN(C)C)CN2.
What is the InChIKey of 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine?
The InChIKey is KLJAXTVFYKOOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8,10,14H,6-7,9H2,1-3H3.
What are the key properties of 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine?
2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine has a molecular weight of 220.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 11806221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).