2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium

C15H20Cl2N2O+2 — CID 7425234

IUPAC2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium
SMILESC[NH+](C)CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C15H18Cl2N2O/c1-19(2)8-7-18-10-12-4-6-15(20-12)13-5-3-11(16)9-14(13)17/h3-6,9,18H,7-8,10H2,1-2H3/p+2
InChIKeyXNMBSXOODBHNGL-UHFFFAOYSA-P
MW315.24 g/mol
LogP1.46
Rot. Bonds6

About 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium

2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium (PubChem CID 7425234) has the molecular formula C15H20Cl2N2O+2 and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium
PubChem CID7425234
Molecular FormulaC15H20Cl2N2O+2
Molecular Weight315.24 g/mol
Exact Mass314.09
IUPAC Name2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium
SMILESC[NH+](C)CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C15H18Cl2N2O/c1-19(2)8-7-18-10-12-4-6-15(20-12)13-5-3-11(16)9-14(13)17/h3-6,9,18H,7-8,10H2,1-2H3/p+2
InChIKeyXNMBSXOODBHNGL-UHFFFAOYSA-P
XLogP1.46
TPSA34.19 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium
CID 7425291
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8636811
(2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8636558
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 7394284
cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8637118
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-(3-ethoxypropyl)azanium
CID 8622342
3-[5-(2,4-dichlorophenyl)furan-2-yl]propan-1-ol
CID 170887541
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 8622356
1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 71611033
3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide
CID 91686857
3-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 142697356
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398553

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium?
The IUPAC name of 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium (CID 7425234) is 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium?
The canonical SMILES for 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium is C[NH+](C)CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium?
The InChIKey is XNMBSXOODBHNGL-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H18Cl2N2O/c1-19(2)8-7-18-10-12-4-6-15(20-12)13-5-3-11(16)9-14(13)17/h3-6,9,18H,7-8,10H2,1-2H3/p+2.
What are the key properties of 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium?
2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium has a molecular weight of 315.24 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium is sourced from PubChem (CID 7425234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).