2-[6-chloro-3-(1-pyridin-2-ylpropyl)-1H-inden-2-yl]-N,N-dimethylethanamine

C21H25ClN2 — CID 10871551

IUPAC2-[6-chloro-3-(1-pyridin-2-ylpropyl)-1H-inden-2-yl]-N,N-dimethylethanamine
SMILESCCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1
InChIInChI=1S/C21H25ClN2/c1-4-18(20-7-5-6-11-23-20)21-15(10-12-24(2)3)13-16-14-17(22)8-9-19(16)21/h5-9,11,14,18H,4,10,12-13H2,1-3H3
InChIKeyDDXKWKGIBLVYQU-UHFFFAOYSA-N
MW340.90 g/mol
LogP5.19
Rot. Bonds6

About 2-[6-chloro-3-(1-pyridin-2-ylpropyl)-1H-inden-2-yl]-N,N-dimethylethanamine

2-[6-chloro-3-(1-pyridin-2-ylpropyl)-1H-inden-2-yl]-N,N-dimethylethanamine (PubChem CID 10871551) has the molecular formula C21H25ClN2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 2-[6-chloro-3-(1-pyridin-2-ylpropyl)-1H-inden-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-chloro-3-(1-pyridin-2-ylpropyl)-1H-inden-2-yl]-N,N-dimethylethanamine
PubChem CID10871551
Molecular FormulaC21H25ClN2
Molecular Weight340.90 g/mol
Exact Mass340.17
IUPAC Name2-[6-chloro-3-(1-pyridin-2-ylpropyl)-1H-inden-2-yl]-N,N-dimethylethanamine
SMILESCCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1
InChIInChI=1S/C21H25ClN2/c1-4-18(20-7-5-6-11-23-20)21-15(10-12-24(2)3)13-16-14-17(22)8-9-19(16)21/h5-9,11,14,18H,4,10,12-13H2,1-3H3
InChIKeyDDXKWKGIBLVYQU-UHFFFAOYSA-N
XLogP5.19
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.90
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[6-chloro-3-(1-pyridin-2-ylpropyl)-1H-inden-2-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-[6-chloro-3-(1-pyridin-2-ylpropyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[6-chloro-3-(1-pyridin-2-ylpropyl)-1H-inden-2-yl]-N,N-dimethylethanamine (CID 10871551) is 2-[6-chloro-3-(1-pyridin-2-ylpropyl)-1H-inden-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-chloro-3-(1-pyridin-2-ylpropyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-chloro-3-(1-pyridin-2-ylpropyl)-1H-inden-2-yl]-N,N-dimethylethanamine is CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1.
What is the InChIKey of 2-[6-chloro-3-(1-pyridin-2-ylpropyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
The InChIKey is DDXKWKGIBLVYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2/c1-4-18(20-7-5-6-11-23-20)21-15(10-12-24(2)3)13-16-14-17(22)8-9-19(16)21/h5-9,11,14,18H,4,10,12-13H2,1-3H3.
What are the key properties of 2-[6-chloro-3-(1-pyridin-2-ylpropyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
2-[6-chloro-3-(1-pyridin-2-ylpropyl)-1H-inden-2-yl]-N,N-dimethylethanamine has a molecular weight of 340.90 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(1-pyridin-2-ylpropyl)-1H-inden-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 10871551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).