2-(3-benzyl-3H-inden-1-yl)-N,N-dimethylethanamine

C20H23N — CID 11818252

IUPAC2-(3-benzyl-3H-inden-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=CC(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H23N/c1-21(2)13-12-17-15-18(14-16-8-4-3-5-9-16)20-11-7-6-10-19(17)20/h3-11,15,18H,12-14H2,1-2H3
InChIKeyCKYIFJXFLBXUQQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.36
Rot. Bonds5

About 2-(3-benzyl-3H-inden-1-yl)-N,N-dimethylethanamine

2-(3-benzyl-3H-inden-1-yl)-N,N-dimethylethanamine (PubChem CID 11818252) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(3-benzyl-3H-inden-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3-benzyl-3H-inden-1-yl)-N,N-dimethylethanamine
PubChem CID11818252
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name2-(3-benzyl-3H-inden-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=CC(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H23N/c1-21(2)13-12-17-15-18(14-16-8-4-3-5-9-16)20-11-7-6-10-19(17)20/h3-11,15,18H,12-14H2,1-2H3
InChIKeyCKYIFJXFLBXUQQ-UHFFFAOYSA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-3H-inden-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(3-benzyl-3H-inden-1-yl)-N,N-dimethylethanamine (CID 11818252) is 2-(3-benzyl-3H-inden-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3-benzyl-3H-inden-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3-benzyl-3H-inden-1-yl)-N,N-dimethylethanamine is CN(C)CCC1=CC(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-(3-benzyl-3H-inden-1-yl)-N,N-dimethylethanamine?
The InChIKey is CKYIFJXFLBXUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-21(2)13-12-17-15-18(14-16-8-4-3-5-9-16)20-11-7-6-10-19(17)20/h3-11,15,18H,12-14H2,1-2H3.
What are the key properties of 2-(3-benzyl-3H-inden-1-yl)-N,N-dimethylethanamine?
2-(3-benzyl-3H-inden-1-yl)-N,N-dimethylethanamine has a molecular weight of 277.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-3H-inden-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 11818252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).