2-(3-benzylindol-1-yl)-N,N-dimethylethanamine

C19H22N2 — CID 20722800

IUPAC2-(3-benzylindol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C19H22N2/c1-20(2)12-13-21-15-17(14-16-8-4-3-5-9-16)18-10-6-7-11-19(18)21/h3-11,15H,12-14H2,1-2H3
InChIKeyOYHBRXFQPGMFDE-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.79
Rot. Bonds5

About 2-(3-benzylindol-1-yl)-N,N-dimethylethanamine

2-(3-benzylindol-1-yl)-N,N-dimethylethanamine (PubChem CID 20722800) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3-benzylindol-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3-benzylindol-1-yl)-N,N-dimethylethanamine
PubChem CID20722800
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-(3-benzylindol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C19H22N2/c1-20(2)12-13-21-15-17(14-16-8-4-3-5-9-16)18-10-6-7-11-19(18)21/h3-11,15H,12-14H2,1-2H3
InChIKeyOYHBRXFQPGMFDE-UHFFFAOYSA-N
XLogP3.79
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylindol-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(3-benzylindol-1-yl)-N,N-dimethylethanamine (CID 20722800) is 2-(3-benzylindol-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3-benzylindol-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3-benzylindol-1-yl)-N,N-dimethylethanamine is CN(C)CCn1cc(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-(3-benzylindol-1-yl)-N,N-dimethylethanamine?
The InChIKey is OYHBRXFQPGMFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-20(2)12-13-21-15-17(14-16-8-4-3-5-9-16)18-10-6-7-11-19(18)21/h3-11,15H,12-14H2,1-2H3.
What are the key properties of 2-(3-benzylindol-1-yl)-N,N-dimethylethanamine?
2-(3-benzylindol-1-yl)-N,N-dimethylethanamine has a molecular weight of 278.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylindol-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 20722800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).