2-(1-benzylindol-4-yl)oxy-N-[(3-methylphenyl)methyl]ethanamine

C25H26N2O — CID 164614157

IUPAC2-(1-benzylindol-4-yl)oxy-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CNCCOc2cccc3c2ccn3Cc2ccccc2)c1
InChIInChI=1S/C25H26N2O/c1-20-7-5-10-22(17-20)18-26-14-16-28-25-12-6-11-24-23(25)13-15-27(24)19-21-8-3-2-4-9-21/h2-13,15,17,26H,14,16,18-19H2,1H3
InChIKeyFIOBTXCHUKCEGJ-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.17
Rot. Bonds8

About 2-(1-benzylindol-4-yl)oxy-N-[(3-methylphenyl)methyl]ethanamine

2-(1-benzylindol-4-yl)oxy-N-[(3-methylphenyl)methyl]ethanamine (PubChem CID 164614157) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-(1-benzylindol-4-yl)oxy-N-[(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1-benzylindol-4-yl)oxy-N-[(3-methylphenyl)methyl]ethanamine
PubChem CID164614157
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name2-(1-benzylindol-4-yl)oxy-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CNCCOc2cccc3c2ccn3Cc2ccccc2)c1
InChIInChI=1S/C25H26N2O/c1-20-7-5-10-22(17-20)18-26-14-16-28-25-12-6-11-24-23(25)13-15-27(24)19-21-8-3-2-4-9-21/h2-13,15,17,26H,14,16,18-19H2,1H3
InChIKeyFIOBTXCHUKCEGJ-UHFFFAOYSA-N
XLogP5.17
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.17
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 2-(1-benzylindol-4-yl)oxy-N-[(3-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-(1-benzylindol-4-yl)oxy-N-[(3-methylphenyl)methyl]ethanamine (CID 164614157) is 2-(1-benzylindol-4-yl)oxy-N-[(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(1-benzylindol-4-yl)oxy-N-[(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(1-benzylindol-4-yl)oxy-N-[(3-methylphenyl)methyl]ethanamine is Cc1cccc(CNCCOc2cccc3c2ccn3Cc2ccccc2)c1.
What is the InChIKey of 2-(1-benzylindol-4-yl)oxy-N-[(3-methylphenyl)methyl]ethanamine?
The InChIKey is FIOBTXCHUKCEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-20-7-5-10-22(17-20)18-26-14-16-28-25-12-6-11-24-23(25)13-15-27(24)19-21-8-3-2-4-9-21/h2-13,15,17,26H,14,16,18-19H2,1H3.
What are the key properties of 2-(1-benzylindol-4-yl)oxy-N-[(3-methylphenyl)methyl]ethanamine?
2-(1-benzylindol-4-yl)oxy-N-[(3-methylphenyl)methyl]ethanamine has a molecular weight of 370.50 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindol-4-yl)oxy-N-[(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 164614157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).