2-(2-chloro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine

C20H20ClN — CID 129012325

IUPAC2-(2-chloro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=C2c3ccccc3CC2c2ccc(Cl)cc21
InChIInChI=1S/C20H20ClN/c1-22(2)10-9-17-18-12-14(21)7-8-16(18)19-11-13-5-3-4-6-15(13)20(17)19/h3-8,12,19H,9-11H2,1-2H3
InChIKeyKFJGBLXBLVQBEX-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.86
Rot. Bonds3

About 2-(2-chloro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine

2-(2-chloro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine (PubChem CID 129012325) has the molecular formula C20H20ClN and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(2-chloro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine
PubChem CID129012325
Molecular FormulaC20H20ClN
Molecular Weight309.84 g/mol
Exact Mass309.13
IUPAC Name2-(2-chloro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=C2c3ccccc3CC2c2ccc(Cl)cc21
InChIInChI=1S/C20H20ClN/c1-22(2)10-9-17-18-12-14(21)7-8-16(18)19-11-13-5-3-4-6-15(13)20(17)19/h3-8,12,19H,9-11H2,1-2H3
InChIKeyKFJGBLXBLVQBEX-UHFFFAOYSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-chloro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine (CID 129012325) is 2-(2-chloro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-chloro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-chloro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine is CN(C)CCC1=C2c3ccccc3CC2c2ccc(Cl)cc21.
What is the InChIKey of 2-(2-chloro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine?
The InChIKey is KFJGBLXBLVQBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN/c1-22(2)10-9-17-18-12-14(21)7-8-16(18)19-11-13-5-3-4-6-15(13)20(17)19/h3-8,12,19H,9-11H2,1-2H3.
What are the key properties of 2-(2-chloro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine?
2-(2-chloro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine has a molecular weight of 309.84 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 129012325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).