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

C18H16Cl2NO+ — CID 8622580

IUPACbenzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium
SMILESClc1cc(Cl)cc(-c2ccc(C[NH2+]Cc3ccccc3)o2)c1
InChIInChI=1S/C18H15Cl2NO/c19-15-8-14(9-16(20)10-15)18-7-6-17(22-18)12-21-11-13-4-2-1-3-5-13/h1-10,21H,11-12H2/p+1
InChIKeyHYYQEPKFOMDZPH-UHFFFAOYSA-O
MW333.24 g/mol
LogP4.52
Rot. Bonds5

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

benzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium (PubChem CID 8622580) has the molecular formula C18H16Cl2NO+ and a molecular weight of 333.24 g/mol. Its IUPAC name is benzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium.

Molecular Properties

Compound Namebenzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium
PubChem CID8622580
Molecular FormulaC18H16Cl2NO+
Molecular Weight333.24 g/mol
Exact Mass332.06
IUPAC Namebenzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium
SMILESClc1cc(Cl)cc(-c2ccc(C[NH2+]Cc3ccccc3)o2)c1
InChIInChI=1S/C18H15Cl2NO/c19-15-8-14(9-16(20)10-15)18-7-6-17(22-18)12-21-11-13-4-2-1-3-5-13/h1-10,21H,11-12H2/p+1
InChIKeyHYYQEPKFOMDZPH-UHFFFAOYSA-O
XLogP4.52
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium
CID 8622876
[5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium
CID 7425173
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium
CID 8622860
[5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium
CID 8622181
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 7380206
(1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622609
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4723692
1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 4723648
(2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8636558
(1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8622717
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride
CID 17332170
[5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 8622846

Frequently Asked Questions

What is the IUPAC name of benzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium?
The IUPAC name of benzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium (CID 8622580) is benzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium.
What is the SMILES notation for benzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium?
The canonical SMILES for benzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium is Clc1cc(Cl)cc(-c2ccc(C[NH2+]Cc3ccccc3)o2)c1.
What is the InChIKey of benzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium?
The InChIKey is HYYQEPKFOMDZPH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15Cl2NO/c19-15-8-14(9-16(20)10-15)18-7-6-17(22-18)12-21-11-13-4-2-1-3-5-13/h1-10,21H,11-12H2/p+1.
What are the key properties of benzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium?
benzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium has a molecular weight of 333.24 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium is sourced from PubChem (CID 8622580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).