2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine

C14H22N2O — CID 170323800

IUPAC2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)[C@@H](CCN(C)C)CN2C
InChIInChI=1S/C14H22N2O/c1-15(2)8-7-11-10-16(3)14-6-5-12(17-4)9-13(11)14/h5-6,9,11H,7-8,10H2,1-4H3/t11-/m0/s1
InChIKeyNPDMXPAJBJLEPH-NSHDSACASA-N
MW234.34 g/mol
LogP2.18
Rot. Bonds4

About 2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine

2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine (PubChem CID 170323800) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine
PubChem CID170323800
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)[C@@H](CCN(C)C)CN2C
InChIInChI=1S/C14H22N2O/c1-15(2)8-7-11-10-16(3)14-6-5-12(17-4)9-13(11)14/h5-6,9,11H,7-8,10H2,1-4H3/t11-/m0/s1
InChIKeyNPDMXPAJBJLEPH-NSHDSACASA-N
XLogP2.18
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
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-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine (CID 170323800) is 2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine is COc1ccc2c(c1)[C@@H](CCN(C)C)CN2C.
What is the InChIKey of 2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine?
The InChIKey is NPDMXPAJBJLEPH-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O/c1-15(2)8-7-11-10-16(3)14-6-5-12(17-4)9-13(11)14/h5-6,9,11H,7-8,10H2,1-4H3/t11-/m0/s1.
What are the key properties of 2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine?
2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 170323800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).