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

C16H20Cl2NO2+ — CID 8622342

IUPAC[5-(2,5-dichlorophenyl)furan-2-yl]methyl-(3-ethoxypropyl)azanium
SMILESCCOCCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C16H19Cl2NO2/c1-2-20-9-3-8-19-11-13-5-7-16(21-13)14-10-12(17)4-6-15(14)18/h4-7,10,19H,2-3,8-9,11H2,1H3/p+1
InChIKeyUZCKEUQZSIIPLV-UHFFFAOYSA-O
MW329.25 g/mol
LogP3.74
Rot. Bonds8

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

[5-(2,5-dichlorophenyl)furan-2-yl]methyl-(3-ethoxypropyl)azanium (PubChem CID 8622342) has the molecular formula C16H20Cl2NO2+ and a molecular weight of 329.25 g/mol. Its IUPAC name is [5-(2,5-dichlorophenyl)furan-2-yl]methyl-(3-ethoxypropyl)azanium.

Molecular Properties

Compound Name[5-(2,5-dichlorophenyl)furan-2-yl]methyl-(3-ethoxypropyl)azanium
PubChem CID8622342
Molecular FormulaC16H20Cl2NO2+
Molecular Weight329.25 g/mol
Exact Mass328.09
IUPAC Name[5-(2,5-dichlorophenyl)furan-2-yl]methyl-(3-ethoxypropyl)azanium
SMILESCCOCCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C16H19Cl2NO2/c1-2-20-9-3-8-19-11-13-5-7-16(21-13)14-10-12(17)4-6-15(14)18/h4-7,10,19H,2-3,8-9,11H2,1H3/p+1
InChIKeyUZCKEUQZSIIPLV-UHFFFAOYSA-O
XLogP3.74
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium
CID 7425147
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
CID 8622324
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 8622356
2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium
CID 7425234
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 4723557
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 7394284
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium
CID 8622297
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084440
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8636811
1,4-dichloro-2-(3-ethoxypropoxy)benzene
CID 79005556
(2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8636558
[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium
CID 7425255

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-(3-ethoxypropyl)azanium?
The IUPAC name of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-(3-ethoxypropyl)azanium (CID 8622342) is [5-(2,5-dichlorophenyl)furan-2-yl]methyl-(3-ethoxypropyl)azanium.
What is the SMILES notation for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-(3-ethoxypropyl)azanium?
The canonical SMILES for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-(3-ethoxypropyl)azanium is CCOCCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-(3-ethoxypropyl)azanium?
The InChIKey is UZCKEUQZSIIPLV-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19Cl2NO2/c1-2-20-9-3-8-19-11-13-5-7-16(21-13)14-10-12(17)4-6-15(14)18/h4-7,10,19H,2-3,8-9,11H2,1H3/p+1.
What are the key properties of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-(3-ethoxypropyl)azanium?
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-(3-ethoxypropyl)azanium has a molecular weight of 329.25 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-(3-ethoxypropyl)azanium is sourced from PubChem (CID 8622342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).