2-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine

C19H24ClN3 — CID 69189292

IUPAC2-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine
SMILESCN(C)CCNc1ccc2c(c1)C(N)C(c1cccc(Cl)c1)C2
InChIInChI=1S/C19H24ClN3/c1-23(2)9-8-22-16-7-6-14-11-17(19(21)18(14)12-16)13-4-3-5-15(20)10-13/h3-7,10,12,17,19,22H,8-9,11,21H2,1-2H3
InChIKeyBNYYYOZBMRXJFK-UHFFFAOYSA-N
MW329.88 g/mol
LogP3.65
Rot. Bonds5

About 2-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine

2-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine (PubChem CID 69189292) has the molecular formula C19H24ClN3 and a molecular weight of 329.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine
PubChem CID69189292
Molecular FormulaC19H24ClN3
Molecular Weight329.88 g/mol
Exact Mass329.17
IUPAC Name2-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine
SMILESCN(C)CCNc1ccc2c(c1)C(N)C(c1cccc(Cl)c1)C2
InChIInChI=1S/C19H24ClN3/c1-23(2)9-8-22-16-7-6-14-11-17(19(21)18(14)12-16)13-4-3-5-15(20)10-13/h3-7,10,12,17,19,22H,8-9,11,21H2,1-2H3
InChIKeyBNYYYOZBMRXJFK-UHFFFAOYSA-N
XLogP3.65
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.88
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine 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-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine?
The IUPAC name of 2-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine (CID 69189292) is 2-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine.
What is the SMILES notation for 2-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine?
The canonical SMILES for 2-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine is CN(C)CCNc1ccc2c(c1)C(N)C(c1cccc(Cl)c1)C2.
What is the InChIKey of 2-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine?
The InChIKey is BNYYYOZBMRXJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3/c1-23(2)9-8-22-16-7-6-14-11-17(19(21)18(14)12-16)13-4-3-5-15(20)10-13/h3-7,10,12,17,19,22H,8-9,11,21H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine?
2-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine has a molecular weight of 329.88 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine is sourced from PubChem (CID 69189292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).