[5-(3,5-dichlorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium

C15H18Cl2NO2+ — CID 7380122

IUPAC[5-(3,5-dichlorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium
SMILESCC(C)(CO)[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C15H17Cl2NO2/c1-15(2,9-19)18-8-13-3-4-14(20-13)10-5-11(16)7-12(17)6-10/h3-7,18-19H,8-9H2,1-2H3/p+1
InChIKeyZJRRATGIBFUDNR-UHFFFAOYSA-O
MW315.22 g/mol
LogP3.09
Rot. Bonds5

About [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium

[5-(3,5-dichlorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium (PubChem CID 7380122) has the molecular formula C15H18Cl2NO2+ and a molecular weight of 315.22 g/mol. Its IUPAC name is [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium.

Molecular Properties

Compound Name[5-(3,5-dichlorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium
PubChem CID7380122
Molecular FormulaC15H18Cl2NO2+
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name[5-(3,5-dichlorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium
SMILESCC(C)(CO)[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C15H17Cl2NO2/c1-15(2,9-19)18-8-13-3-4-14(20-13)10-5-11(16)7-12(17)6-10/h3-7,18-19H,8-9H2,1-2H3/p+1
InChIKeyZJRRATGIBFUDNR-UHFFFAOYSA-O
XLogP3.09
TPSA49.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium
CID 41493323
Fto-IN-8
CID 164886650
[5-(3-Chloro-4-fluorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium
CID 7425273
[5-(3,5-Dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium
CID 7379361
[5-(2,5-Dichlorophenyl)furan-2-yl]methyl-methylazanium
CID 7380086
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
CID 7380204
[5-(2,5-Dichlorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium
CID 7425146
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
CID 7425151
[5-(2,5-Dichlorophenyl)furan-2-yl]methyl-ethylazanium
CID 7425155
[5-(3,5-Dichlorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium
CID 7425172
[5-(3,5-Dichlorophenyl)furan-2-yl]methyl-methylazanium
CID 7425173
[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium
CID 8636600

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium?
The IUPAC name of [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium (CID 7380122) is [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium.
What is the SMILES notation for [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium?
The canonical SMILES for [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium is CC(C)(CO)[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium?
The InChIKey is ZJRRATGIBFUDNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17Cl2NO2/c1-15(2,9-19)18-8-13-3-4-14(20-13)10-5-11(16)7-12(17)6-10/h3-7,18-19H,8-9H2,1-2H3/p+1.
What are the key properties of [5-(3,5-dichlorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium?
[5-(3,5-dichlorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium has a molecular weight of 315.22 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 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-(1-hydroxy-2-methylpropan-2-yl)azanium is sourced from PubChem (CID 7380122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).