2-(1-benzyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine

C20H24N2O — CID 3028929

IUPAC2-(1-benzyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2Cc1ccccc1
InChIInChI=1S/C20H24N2O/c1-21(2)12-11-17-15-22(14-16-7-5-4-6-8-16)20-10-9-18(23-3)13-19(17)20/h4-10,13,15H,11-12,14H2,1-3H3
InChIKeyLTGLAVOFBOVUDU-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.80
Rot. Bonds6

About 2-(1-benzyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine

2-(1-benzyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine (PubChem CID 3028929) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(1-benzyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1-benzyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine
PubChem CID3028929
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-(1-benzyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2Cc1ccccc1
InChIInChI=1S/C20H24N2O/c1-21(2)12-11-17-15-22(14-16-7-5-4-6-8-16)20-10-9-18(23-3)13-19(17)20/h4-10,13,15H,11-12,14H2,1-3H3
InChIKeyLTGLAVOFBOVUDU-UHFFFAOYSA-N
XLogP3.80
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(1-benzyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine (CID 3028929) is 2-(1-benzyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1-benzyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1-benzyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine is COc1ccc2c(c1)c(CCN(C)C)cn2Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine?
The InChIKey is LTGLAVOFBOVUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-21(2)12-11-17-15-22(14-16-7-5-4-6-8-16)20-10-9-18(23-3)13-19(17)20/h4-10,13,15H,11-12,14H2,1-3H3.
What are the key properties of 2-(1-benzyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine?
2-(1-benzyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine has a molecular weight of 308.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 3028929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).