2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine

C26H28N2O — CID 154159939

IUPAC2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(Cc2ccccc2)c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C26H28N2O/c1-27(2)17-16-23-19-28(18-21-10-5-3-6-11-21)24-14-9-15-25(26(23)24)29-20-22-12-7-4-8-13-22/h3-15,19H,16-18,20H2,1-2H3
InChIKeyMLJPZUHTAXLZFF-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.37
Rot. Bonds8

About 2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine

2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine (PubChem CID 154159939) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine
PubChem CID154159939
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(Cc2ccccc2)c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C26H28N2O/c1-27(2)17-16-23-19-28(18-21-10-5-3-6-11-21)24-14-9-15-25(26(23)24)29-20-22-12-7-4-8-13-22/h3-15,19H,16-18,20H2,1-2H3
InChIKeyMLJPZUHTAXLZFF-UHFFFAOYSA-N
XLogP5.37
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine
CID 156852005
1-[(4-fluorophenyl)methyl]-4-phenylmethoxyindole-3-carboxylic acid
CID 21079394
N,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine
CID 166138190
1-benzyl-3-bromo-4-ethoxyindole
CID 173153674
N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine
CID 84571792
1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxyindole-3-carboxylic acid
CID 10503348
2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione
CID 53328839
2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine
CID 11014184
2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide
CID 10741107
N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine
CID 156852024
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890
1-benzyl-4-methoxyindole-3-carboxylic acid
CID 23073203

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine (CID 154159939) is 2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine is CN(C)CCc1cn(Cc2ccccc2)c2cccc(OCc3ccccc3)c12.
What is the InChIKey of 2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine?
The InChIKey is MLJPZUHTAXLZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-27(2)17-16-23-19-28(18-21-10-5-3-6-11-21)24-14-9-15-25(26(23)24)29-20-22-12-7-4-8-13-22/h3-15,19H,16-18,20H2,1-2H3.
What are the key properties of 2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine?
2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine has a molecular weight of 384.52 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 154159939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).