1-(3,5-dichlorophenyl)-N-methyl-N-[(2-piperazin-1-yl-1,3-dihydroinden-2-yl)methyl]methanamine

C22H27Cl2N3 — CID 23147724

IUPAC1-(3,5-dichlorophenyl)-N-methyl-N-[(2-piperazin-1-yl-1,3-dihydroinden-2-yl)methyl]methanamine
SMILESCN(Cc1cc(Cl)cc(Cl)c1)CC1(N2CCNCC2)Cc2ccccc2C1
InChIInChI=1S/C22H27Cl2N3/c1-26(15-17-10-20(23)12-21(24)11-17)16-22(27-8-6-25-7-9-27)13-18-4-2-3-5-19(18)14-22/h2-5,10-12,25H,6-9,13-16H2,1H3
InChIKeyFRUGBSZCBXQVBC-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.87
Rot. Bonds5

About 1-(3,5-dichlorophenyl)-N-methyl-N-[(2-piperazin-1-yl-1,3-dihydroinden-2-yl)methyl]methanamine

1-(3,5-dichlorophenyl)-N-methyl-N-[(2-piperazin-1-yl-1,3-dihydroinden-2-yl)methyl]methanamine (PubChem CID 23147724) has the molecular formula C22H27Cl2N3 and a molecular weight of 404.39 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-methyl-N-[(2-piperazin-1-yl-1,3-dihydroinden-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-methyl-N-[(2-piperazin-1-yl-1,3-dihydroinden-2-yl)methyl]methanamine
PubChem CID23147724
Molecular FormulaC22H27Cl2N3
Molecular Weight404.39 g/mol
Exact Mass403.16
IUPAC Name1-(3,5-dichlorophenyl)-N-methyl-N-[(2-piperazin-1-yl-1,3-dihydroinden-2-yl)methyl]methanamine
SMILESCN(Cc1cc(Cl)cc(Cl)c1)CC1(N2CCNCC2)Cc2ccccc2C1
InChIInChI=1S/C22H27Cl2N3/c1-26(15-17-10-20(23)12-21(24)11-17)16-22(27-8-6-25-7-9-27)13-18-4-2-3-5-19(18)14-22/h2-5,10-12,25H,6-9,13-16H2,1H3
InChIKeyFRUGBSZCBXQVBC-UHFFFAOYSA-N
XLogP3.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-N-[(2-piperazin-1-yl-1,3-dihydroinden-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-N-[(2-piperazin-1-yl-1,3-dihydroinden-2-yl)methyl]methanamine (CID 23147724) is 1-(3,5-dichlorophenyl)-N-methyl-N-[(2-piperazin-1-yl-1,3-dihydroinden-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-methyl-N-[(2-piperazin-1-yl-1,3-dihydroinden-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-methyl-N-[(2-piperazin-1-yl-1,3-dihydroinden-2-yl)methyl]methanamine is CN(Cc1cc(Cl)cc(Cl)c1)CC1(N2CCNCC2)Cc2ccccc2C1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-methyl-N-[(2-piperazin-1-yl-1,3-dihydroinden-2-yl)methyl]methanamine?
The InChIKey is FRUGBSZCBXQVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N3/c1-26(15-17-10-20(23)12-21(24)11-17)16-22(27-8-6-25-7-9-27)13-18-4-2-3-5-19(18)14-22/h2-5,10-12,25H,6-9,13-16H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-methyl-N-[(2-piperazin-1-yl-1,3-dihydroinden-2-yl)methyl]methanamine?
1-(3,5-dichlorophenyl)-N-methyl-N-[(2-piperazin-1-yl-1,3-dihydroinden-2-yl)methyl]methanamine has a molecular weight of 404.39 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-methyl-N-[(2-piperazin-1-yl-1,3-dihydroinden-2-yl)methyl]methanamine is sourced from PubChem (CID 23147724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).