[5-(3,5-dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium

C14H16Cl2NO2+ — CID 7379361

IUPAC[5-(3,5-dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium
SMILESCOCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C14H15Cl2NO2/c1-18-5-4-17-9-13-2-3-14(19-13)10-6-11(15)8-12(16)7-10/h2-3,6-8,17H,4-5,9H2,1H3/p+1
InChIKeyWGOKOPRYPYQGAG-UHFFFAOYSA-O
MW301.19 g/mol
LogP2.96
Rot. Bonds6

About [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium

[5-(3,5-dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium (PubChem CID 7379361) has the molecular formula C14H16Cl2NO2+ and a molecular weight of 301.19 g/mol. Its IUPAC name is [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium.

Molecular Properties

Compound Name[5-(3,5-dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium
PubChem CID7379361
Molecular FormulaC14H16Cl2NO2+
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name[5-(3,5-dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium
SMILESCOCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C14H15Cl2NO2/c1-18-5-4-17-9-13-2-3-14(19-13)10-6-11(15)8-12(16)7-10/h2-3,6-8,17H,4-5,9H2,1H3/p+1
InChIKeyWGOKOPRYPYQGAG-UHFFFAOYSA-O
XLogP2.96
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium 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 [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium?
The IUPAC name of [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium (CID 7379361) is [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium.
What is the SMILES notation for [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium?
The canonical SMILES for [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium is COCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium?
The InChIKey is WGOKOPRYPYQGAG-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H15Cl2NO2/c1-18-5-4-17-9-13-2-3-14(19-13)10-6-11(15)8-12(16)7-10/h2-3,6-8,17H,4-5,9H2,1H3/p+1.
What are the key properties of [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium?
[5-(3,5-dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium has a molecular weight of 301.19 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium is sourced from PubChem (CID 7379361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).