2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine

C16H26N2O — CID 169244252

IUPAC2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)C(CCN(C)C)CN2C(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)18-11-13(8-9-17(3)4)15-10-14(19-5)6-7-16(15)18/h6-7,10,12-13H,8-9,11H2,1-5H3
InChIKeyGMUJHEKGULMVLU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds5

About 2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine

2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine (PubChem CID 169244252) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine
PubChem CID169244252
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)C(CCN(C)C)CN2C(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)18-11-13(8-9-17(3)4)15-10-14(19-5)6-7-16(15)18/h6-7,10,12-13H,8-9,11H2,1-5H3
InChIKeyGMUJHEKGULMVLU-UHFFFAOYSA-N
XLogP2.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.96
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-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine (CID 169244252) is 2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine is COc1ccc2c(c1)C(CCN(C)C)CN2C(C)C.
What is the InChIKey of 2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine?
The InChIKey is GMUJHEKGULMVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)18-11-13(8-9-17(3)4)15-10-14(19-5)6-7-16(15)18/h6-7,10,12-13H,8-9,11H2,1-5H3.
What are the key properties of 2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine?
2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 169244252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).