[5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium

C17H23ClN2O2+2 — CID 8622846

IUPAC[5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
SMILESClc1cccc(-c2ccc(C[NH2+]CC[NH+]3CCOCC3)o2)c1
InChIInChI=1S/C17H21ClN2O2/c18-15-3-1-2-14(12-15)17-5-4-16(22-17)13-19-6-7-20-8-10-21-11-9-20/h1-5,12,19H,6-11,13H2/p+2
InChIKeyMHSNHJFJFKXTJQ-UHFFFAOYSA-P
MW322.84 g/mol
LogP0.58
Rot. Bonds6

About [5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium

[5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium (PubChem CID 8622846) has the molecular formula C17H23ClN2O2+2 and a molecular weight of 322.84 g/mol. Its IUPAC name is [5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium.

Molecular Properties

Compound Name[5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
PubChem CID8622846
Molecular FormulaC17H23ClN2O2+2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name[5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
SMILESClc1cccc(-c2ccc(C[NH2+]CC[NH+]3CCOCC3)o2)c1
InChIInChI=1S/C17H21ClN2O2/c18-15-3-1-2-14(12-15)17-5-4-16(22-17)13-19-6-7-20-8-10-21-11-9-20/h1-5,12,19H,6-11,13H2/p+2
InChIKeyMHSNHJFJFKXTJQ-UHFFFAOYSA-P
XLogP0.58
TPSA43.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 8637736
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 7394284
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 7380206
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium
CID 8622860
[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7263979
[5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium
CID 8622800
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 4723728
benzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8622580
[5-(3-chlorophenyl)furan-2-yl]methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium
CID 8622786
[(1R)-1-(1-adamantyl)ethyl]-[[5-(3-chlorophenyl)furan-2-yl]methyl]azanium
CID 8622776
4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride
CID 110175302
(2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 7263976

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
The IUPAC name of [5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium (CID 8622846) is [5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium.
What is the SMILES notation for [5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
The canonical SMILES for [5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium is Clc1cccc(-c2ccc(C[NH2+]CC[NH+]3CCOCC3)o2)c1.
What is the InChIKey of [5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
The InChIKey is MHSNHJFJFKXTJQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H21ClN2O2/c18-15-3-1-2-14(12-15)17-5-4-16(22-17)13-19-6-7-20-8-10-21-11-9-20/h1-5,12,19H,6-11,13H2/p+2.
What are the key properties of [5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
[5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium has a molecular weight of 322.84 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium is sourced from PubChem (CID 8622846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).