N-benzyl-2-[(1-benzyl-2,3-dihydroindol-4-yl)oxy]ethanamine

C24H26N2O — CID 164613499

IUPACN-benzyl-2-[(1-benzyl-2,3-dihydroindol-4-yl)oxy]ethanamine
SMILESc1ccc(CNCCOc2cccc3c2CCN3Cc2ccccc2)cc1
InChIInChI=1S/C24H26N2O/c1-3-8-20(9-4-1)18-25-15-17-27-24-13-7-12-23-22(24)14-16-26(23)19-21-10-5-2-6-11-21/h1-13,25H,14-19H2
InChIKeyBBUYKTOCSJFCFH-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.42
Rot. Bonds8

About N-benzyl-2-[(1-benzyl-2,3-dihydroindol-4-yl)oxy]ethanamine

N-benzyl-2-[(1-benzyl-2,3-dihydroindol-4-yl)oxy]ethanamine (PubChem CID 164613499) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-benzyl-2-[(1-benzyl-2,3-dihydroindol-4-yl)oxy]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[(1-benzyl-2,3-dihydroindol-4-yl)oxy]ethanamine
PubChem CID164613499
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC NameN-benzyl-2-[(1-benzyl-2,3-dihydroindol-4-yl)oxy]ethanamine
SMILESc1ccc(CNCCOc2cccc3c2CCN3Cc2ccccc2)cc1
InChIInChI=1S/C24H26N2O/c1-3-8-20(9-4-1)18-25-15-17-27-24-13-7-12-23-22(24)14-16-26(23)19-21-10-5-2-6-11-21/h1-13,25H,14-19H2
InChIKeyBBUYKTOCSJFCFH-UHFFFAOYSA-N
XLogP4.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(1-benzyl-2,3-dihydroindol-4-yl)oxy]ethanamine?
The IUPAC name of N-benzyl-2-[(1-benzyl-2,3-dihydroindol-4-yl)oxy]ethanamine (CID 164613499) is N-benzyl-2-[(1-benzyl-2,3-dihydroindol-4-yl)oxy]ethanamine.
What is the SMILES notation for N-benzyl-2-[(1-benzyl-2,3-dihydroindol-4-yl)oxy]ethanamine?
The canonical SMILES for N-benzyl-2-[(1-benzyl-2,3-dihydroindol-4-yl)oxy]ethanamine is c1ccc(CNCCOc2cccc3c2CCN3Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[(1-benzyl-2,3-dihydroindol-4-yl)oxy]ethanamine?
The InChIKey is BBUYKTOCSJFCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-3-8-20(9-4-1)18-25-15-17-27-24-13-7-12-23-22(24)14-16-26(23)19-21-10-5-2-6-11-21/h1-13,25H,14-19H2.
What are the key properties of N-benzyl-2-[(1-benzyl-2,3-dihydroindol-4-yl)oxy]ethanamine?
N-benzyl-2-[(1-benzyl-2,3-dihydroindol-4-yl)oxy]ethanamine has a molecular weight of 358.49 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(1-benzyl-2,3-dihydroindol-4-yl)oxy]ethanamine is sourced from PubChem (CID 164613499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).