N-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine

C24H24N2O — CID 10291800

IUPACN-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine
SMILESCc1c(-c2ccccc2)[nH]c2cc(OCCNCc3ccccc3)ccc12
InChIInChI=1S/C24H24N2O/c1-18-22-13-12-21(27-15-14-25-17-19-8-4-2-5-9-19)16-23(22)26-24(18)20-10-6-3-7-11-20/h2-13,16,25-26H,14-15,17H2,1H3
InChIKeyNXLWKCYSYYMAQN-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.31
Rot. Bonds7

About N-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine

N-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine (PubChem CID 10291800) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine
PubChem CID10291800
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC NameN-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine
SMILESCc1c(-c2ccccc2)[nH]c2cc(OCCNCc3ccccc3)ccc12
InChIInChI=1S/C24H24N2O/c1-18-22-13-12-21(27-15-14-25-17-19-8-4-2-5-9-19)16-23(22)26-24(18)20-10-6-3-7-11-20/h2-13,16,25-26H,14-15,17H2,1H3
InChIKeyNXLWKCYSYYMAQN-UHFFFAOYSA-N
XLogP5.31
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine?
The IUPAC name of N-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine (CID 10291800) is N-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine.
What is the SMILES notation for N-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine?
The canonical SMILES for N-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine is Cc1c(-c2ccccc2)[nH]c2cc(OCCNCc3ccccc3)ccc12.
What is the InChIKey of N-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine?
The InChIKey is NXLWKCYSYYMAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-18-22-13-12-21(27-15-14-25-17-19-8-4-2-5-9-19)16-23(22)26-24(18)20-10-6-3-7-11-20/h2-13,16,25-26H,14-15,17H2,1H3.
What are the key properties of N-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine?
N-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine has a molecular weight of 356.47 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine is sourced from PubChem (CID 10291800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).