2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine

C14H22N2O2 — CID 166138549

IUPAC2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCOc1cc2c(cc1OC)C(CCN(C)C)CN2
InChIInChI=1S/C14H22N2O2/c1-16(2)6-5-10-9-15-12-8-14(18-4)13(17-3)7-11(10)12/h7-8,10,15H,5-6,9H2,1-4H3
InChIKeyNKQURRGRSNZDSH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.16
Rot. Bonds5

About 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine

2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 166138549) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
PubChem CID166138549
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCOc1cc2c(cc1OC)C(CCN(C)C)CN2
InChIInChI=1S/C14H22N2O2/c1-16(2)6-5-10-9-15-12-8-14(18-4)13(17-3)7-11(10)12/h7-8,10,15H,5-6,9H2,1-4H3
InChIKeyNKQURRGRSNZDSH-UHFFFAOYSA-N
XLogP2.16
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine (CID 166138549) is 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine is COc1cc2c(cc1OC)C(CCN(C)C)CN2.
What is the InChIKey of 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine?
The InChIKey is NKQURRGRSNZDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(2)6-5-10-9-15-12-8-14(18-4)13(17-3)7-11(10)12/h7-8,10,15H,5-6,9H2,1-4H3.
What are the key properties of 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine?
2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine has a molecular weight of 250.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 166138549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).