N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride

C22H26Cl4N2O — CID 17294819

About N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride

N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride (PubChem CID 17294819) has the molecular formula C22H26Cl4N2O and a molecular weight of 476.28 g/mol. Its IUPAC name is N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride.

Molecular Properties

• Compound Name: N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
• PubChem CID: 17294819
• Molecular Formula: C22H26Cl4N2O
• Molecular Weight: 476.28 g/mol
• Exact Mass: 474.08
• IUPAC Name: N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
• SMILES: CN(C)CCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12.Cl.Cl
• InChI: InChI=1S/C22H24Cl2N2O.2ClH/c1-26(2)12-11-25-14-20-19-6-4-3-5-16(19)8-10-22(20)27-15-17-7-9-18(23)13-21(17)24;;/h3-10,13,25H,11-12,14-15H2,1-2H3;2*1H
• InChIKey: KCCYCMSVERYBFE-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 24.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.28
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride?

The IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride (CID 17294819) is N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride.

What is the SMILES notation for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride?

The canonical SMILES for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride is CN(C)CCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12.Cl.Cl.

What is the InChIKey of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride?

The InChIKey is KCCYCMSVERYBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O.2ClH/c1-26(2)12-11-25-14-20-19-6-4-3-5-16(19)8-10-22(20)27-15-17-7-9-18(23)13-21(17)24;;/h3-10,13,25H,11-12,14-15H2,1-2H3;2*1H.

What are the key properties of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride?

N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride has a molecular weight of 476.28 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 17294819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).