cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium

C19H24Cl2NO+ — CID 8637118

IUPACcyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
SMILESClc1ccc(-c2ccc(C[NH2+]C3CCCCCCC3)o2)c(Cl)c1
InChIInChI=1S/C19H23Cl2NO/c20-14-8-10-17(18(21)12-14)19-11-9-16(23-19)13-22-15-6-4-2-1-3-5-7-15/h8-12,15,22H,1-7,13H2/p+1
InChIKeyWSDYBKCNMWCCLB-UHFFFAOYSA-O
MW353.31 g/mol
LogP5.43
Rot. Bonds4

About cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium

cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium (PubChem CID 8637118) has the molecular formula C19H24Cl2NO+ and a molecular weight of 353.31 g/mol. Its IUPAC name is cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium.

Molecular Properties

Compound Namecyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
PubChem CID8637118
Molecular FormulaC19H24Cl2NO+
Molecular Weight353.31 g/mol
Exact Mass352.12
IUPAC Namecyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
SMILESClc1ccc(-c2ccc(C[NH2+]C3CCCCCCC3)o2)c(Cl)c1
InChIInChI=1S/C19H23Cl2NO/c20-14-8-10-17(18(21)12-14)19-11-9-16(23-19)13-22-15-6-4-2-1-3-5-7-15/h8-12,15,22H,1-7,13H2/p+1
InChIKeyWSDYBKCNMWCCLB-UHFFFAOYSA-O
XLogP5.43
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.31
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium
CID 8622800
(2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8636558
2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium
CID 7425234
1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 71611033
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 7394284
3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide
CID 91686857
3-[5-(2,4-dichlorophenyl)furan-2-yl]propan-1-ol
CID 170887541
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
CID 8622324
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8636811
cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
CID 7425297
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline
CID 1446213
(1R)-1-(1-adamantyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]ethanamine
CID 8636426

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium?
The IUPAC name of cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium (CID 8637118) is cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium.
What is the SMILES notation for cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium?
The canonical SMILES for cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium is Clc1ccc(-c2ccc(C[NH2+]C3CCCCCCC3)o2)c(Cl)c1.
What is the InChIKey of cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium?
The InChIKey is WSDYBKCNMWCCLB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23Cl2NO/c20-14-8-10-17(18(21)12-14)19-11-9-16(23-19)13-22-15-6-4-2-1-3-5-7-15/h8-12,15,22H,1-7,13H2/p+1.
What are the key properties of cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium?
cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium has a molecular weight of 353.31 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium is sourced from PubChem (CID 8637118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).