[5-(2,5-dichlorophenyl)furan-2-yl]methyl-methylazanium

C12H12Cl2NO+ — CID 7380086

IUPAC[5-(2,5-dichlorophenyl)furan-2-yl]methyl-methylazanium
SMILESC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C12H11Cl2NO/c1-15-7-9-3-5-12(16-9)10-6-8(13)2-4-11(10)14/h2-6,15H,7H2,1H3/p+1
InChIKeyQRXLTSBBBBLZAZ-UHFFFAOYSA-O
MW257.14 g/mol
LogP2.95
Rot. Bonds3

About [5-(2,5-dichlorophenyl)furan-2-yl]methyl-methylazanium

[5-(2,5-dichlorophenyl)furan-2-yl]methyl-methylazanium (PubChem CID 7380086) has the molecular formula C12H12Cl2NO+ and a molecular weight of 257.14 g/mol. Its IUPAC name is [5-(2,5-dichlorophenyl)furan-2-yl]methyl-methylazanium.

Molecular Properties

Compound Name[5-(2,5-dichlorophenyl)furan-2-yl]methyl-methylazanium
PubChem CID7380086
Molecular FormulaC12H12Cl2NO+
Molecular Weight257.14 g/mol
Exact Mass256.03
IUPAC Name[5-(2,5-dichlorophenyl)furan-2-yl]methyl-methylazanium
SMILESC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C12H11Cl2NO/c1-15-7-9-3-5-12(16-9)10-6-8(13)2-4-11(10)14/h2-6,15H,7H2,1H3/p+1
InChIKeyQRXLTSBBBBLZAZ-UHFFFAOYSA-O
XLogP2.95
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.14
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-(3-Chlorophenyl)furan-2-carbothioyl]piperidine
CID 741694
(5-(2,4-Dichlorophenyl)furan-2-yl)(pyrrolidin-1-yl)methanethione
CID 936298
1-{[5-(4-Chlorophenyl)-2-furyl]methyl}piperidine
CID 782099
4-[5-(2,5-Dichlorophenyl)furan-2-carbonyl]morpholine
CID 1084406
[5-(2,5-Dichlorophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanethione
CID 3588620
N-{3-[(2,5-dichlorobenzoyl)amino]propyl}-2-furamide
CID 6490899
(5-(2,4-Dichlorophenyl)furan-2-yl)(4-methylpiperidin-1-yl)methanethione
CID 2018906
[5-(2,5-Dichloro-phenyl)-furan-2-yl]-piperidin-1-yl-methanethione
CID 786412
Fto-IN-8
CID 164886650
[5-(2-Chlorophenyl)furan-2-yl]-piperidin-1-ylmethanethione
CID 722579
[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

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-methylazanium?
The IUPAC name of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-methylazanium (CID 7380086) is [5-(2,5-dichlorophenyl)furan-2-yl]methyl-methylazanium.
What is the SMILES notation for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-methylazanium?
The canonical SMILES for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-methylazanium is C[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-methylazanium?
The InChIKey is QRXLTSBBBBLZAZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H11Cl2NO/c1-15-7-9-3-5-12(16-9)10-6-8(13)2-4-11(10)14/h2-6,15H,7H2,1H3/p+1.
What are the key properties of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-methylazanium?
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-methylazanium has a molecular weight of 257.14 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-methylazanium is sourced from PubChem (CID 7380086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).