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

C20H20FN — CID 129012324

IUPAC2-(2-fluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=C2c3ccccc3CC2c2ccc(F)cc21
InChIInChI=1S/C20H20FN/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
InChIKeyQNHKEFHSQFOMHU-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.34
Rot. Bonds3

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

2-(2-fluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine (PubChem CID 129012324) has the molecular formula C20H20FN and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(2-fluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-fluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine
PubChem CID129012324
Molecular FormulaC20H20FN
Molecular Weight293.39 g/mol
Exact Mass293.16
IUPAC Name2-(2-fluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=C2c3ccccc3CC2c2ccc(F)cc21
InChIInChI=1S/C20H20FN/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
InChIKeyQNHKEFHSQFOMHU-UHFFFAOYSA-N
XLogP4.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.34
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-fluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-fluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine (CID 129012324) is 2-(2-fluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-fluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-fluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine is CN(C)CCC1=C2c3ccccc3CC2c2ccc(F)cc21.
What is the InChIKey of 2-(2-fluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine?
The InChIKey is QNHKEFHSQFOMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN/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-fluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine?
2-(2-fluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine has a molecular weight of 293.39 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 129012324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).