2-(5-ethenyl-1-phenylindol-3-yl)-N,N-dimethylethanamine

C20H22N2 — CID 21284985

IUPAC2-(5-ethenyl-1-phenylindol-3-yl)-N,N-dimethylethanamine
SMILESC=Cc1ccc2c(c1)c(CCN(C)C)cn2-c1ccccc1
InChIInChI=1S/C20H22N2/c1-4-16-10-11-20-19(14-16)17(12-13-21(2)3)15-22(20)18-8-6-5-7-9-18/h4-11,14-15H,1,12-13H2,2-3H3
InChIKeyNXEPTZQKDXWRIL-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.38
Rot. Bonds5

About 2-(5-ethenyl-1-phenylindol-3-yl)-N,N-dimethylethanamine

2-(5-ethenyl-1-phenylindol-3-yl)-N,N-dimethylethanamine (PubChem CID 21284985) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(5-ethenyl-1-phenylindol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-ethenyl-1-phenylindol-3-yl)-N,N-dimethylethanamine
PubChem CID21284985
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name2-(5-ethenyl-1-phenylindol-3-yl)-N,N-dimethylethanamine
SMILESC=Cc1ccc2c(c1)c(CCN(C)C)cn2-c1ccccc1
InChIInChI=1S/C20H22N2/c1-4-16-10-11-20-19(14-16)17(12-13-21(2)3)15-22(20)18-8-6-5-7-9-18/h4-11,14-15H,1,12-13H2,2-3H3
InChIKeyNXEPTZQKDXWRIL-UHFFFAOYSA-N
XLogP4.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethenyl-1-phenylindol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-ethenyl-1-phenylindol-3-yl)-N,N-dimethylethanamine (CID 21284985) is 2-(5-ethenyl-1-phenylindol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-ethenyl-1-phenylindol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-ethenyl-1-phenylindol-3-yl)-N,N-dimethylethanamine is C=Cc1ccc2c(c1)c(CCN(C)C)cn2-c1ccccc1.
What is the InChIKey of 2-(5-ethenyl-1-phenylindol-3-yl)-N,N-dimethylethanamine?
The InChIKey is NXEPTZQKDXWRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-4-16-10-11-20-19(14-16)17(12-13-21(2)3)15-22(20)18-8-6-5-7-9-18/h4-11,14-15H,1,12-13H2,2-3H3.
What are the key properties of 2-(5-ethenyl-1-phenylindol-3-yl)-N,N-dimethylethanamine?
2-(5-ethenyl-1-phenylindol-3-yl)-N,N-dimethylethanamine has a molecular weight of 290.41 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethenyl-1-phenylindol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 21284985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).