2-(2-chloro-7-fluoro-9b,10-dihydroindeno[2,1-a]inden-5-yl)-N,N-dimethylethanamine

C20H19ClFN — CID 129012330

IUPAC2-(2-chloro-7-fluoro-9b,10-dihydroindeno[2,1-a]inden-5-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=C2c3ccc(Cl)cc3CC2c2ccc(F)cc21
InChIInChI=1S/C20H19ClFN/c1-23(2)8-7-17-18-11-14(22)4-6-16(18)19-10-12-9-13(21)3-5-15(12)20(17)19/h3-6,9,11,19H,7-8,10H2,1-2H3
InChIKeyDQLJOMBKHSVQLI-UHFFFAOYSA-N
MW327.83 g/mol
LogP4.99
Rot. Bonds3

About 2-(2-chloro-7-fluoro-9b,10-dihydroindeno[2,1-a]inden-5-yl)-N,N-dimethylethanamine

2-(2-chloro-7-fluoro-9b,10-dihydroindeno[2,1-a]inden-5-yl)-N,N-dimethylethanamine (PubChem CID 129012330) has the molecular formula C20H19ClFN and a molecular weight of 327.83 g/mol. Its IUPAC name is 2-(2-chloro-7-fluoro-9b,10-dihydroindeno[2,1-a]inden-5-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-7-fluoro-9b,10-dihydroindeno[2,1-a]inden-5-yl)-N,N-dimethylethanamine
PubChem CID129012330
Molecular FormulaC20H19ClFN
Molecular Weight327.83 g/mol
Exact Mass327.12
IUPAC Name2-(2-chloro-7-fluoro-9b,10-dihydroindeno[2,1-a]inden-5-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=C2c3ccc(Cl)cc3CC2c2ccc(F)cc21
InChIInChI=1S/C20H19ClFN/c1-23(2)8-7-17-18-11-14(22)4-6-16(18)19-10-12-9-13(21)3-5-15(12)20(17)19/h3-6,9,11,19H,7-8,10H2,1-2H3
InChIKeyDQLJOMBKHSVQLI-UHFFFAOYSA-N
XLogP4.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-7-fluoro-9b,10-dihydroindeno[2,1-a]inden-5-yl)-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-7-fluoro-9b,10-dihydroindeno[2,1-a]inden-5-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-chloro-7-fluoro-9b,10-dihydroindeno[2,1-a]inden-5-yl)-N,N-dimethylethanamine (CID 129012330) is 2-(2-chloro-7-fluoro-9b,10-dihydroindeno[2,1-a]inden-5-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-chloro-7-fluoro-9b,10-dihydroindeno[2,1-a]inden-5-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-chloro-7-fluoro-9b,10-dihydroindeno[2,1-a]inden-5-yl)-N,N-dimethylethanamine is CN(C)CCC1=C2c3ccc(Cl)cc3CC2c2ccc(F)cc21.
What is the InChIKey of 2-(2-chloro-7-fluoro-9b,10-dihydroindeno[2,1-a]inden-5-yl)-N,N-dimethylethanamine?
The InChIKey is DQLJOMBKHSVQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN/c1-23(2)8-7-17-18-11-14(22)4-6-16(18)19-10-12-9-13(21)3-5-15(12)20(17)19/h3-6,9,11,19H,7-8,10H2,1-2H3.
What are the key properties of 2-(2-chloro-7-fluoro-9b,10-dihydroindeno[2,1-a]inden-5-yl)-N,N-dimethylethanamine?
2-(2-chloro-7-fluoro-9b,10-dihydroindeno[2,1-a]inden-5-yl)-N,N-dimethylethanamine has a molecular weight of 327.83 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-7-fluoro-9b,10-dihydroindeno[2,1-a]inden-5-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 129012330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).