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

C13H14Cl2NO+ — CID 7425155

IUPAC[5-(2,5-dichlorophenyl)furan-2-yl]methyl-ethylazanium
SMILESCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C13H13Cl2NO/c1-2-16-8-10-4-6-13(17-10)11-7-9(14)3-5-12(11)15/h3-7,16H,2,8H2,1H3/p+1
InChIKeyYAFWOZQTNHUIBF-UHFFFAOYSA-O
MW271.17 g/mol
LogP3.34
Rot. Bonds4

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

[5-(2,5-dichlorophenyl)furan-2-yl]methyl-ethylazanium (PubChem CID 7425155) has the molecular formula C13H14Cl2NO+ and a molecular weight of 271.17 g/mol. Its IUPAC name is [5-(2,5-dichlorophenyl)furan-2-yl]methyl-ethylazanium.

Molecular Properties

Compound Name[5-(2,5-dichlorophenyl)furan-2-yl]methyl-ethylazanium
PubChem CID7425155
Molecular FormulaC13H14Cl2NO+
Molecular Weight271.17 g/mol
Exact Mass270.04
IUPAC Name[5-(2,5-dichlorophenyl)furan-2-yl]methyl-ethylazanium
SMILESCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C13H13Cl2NO/c1-2-16-8-10-4-6-13(17-10)11-7-9(14)3-5-12(11)15/h3-7,16H,2,8H2,1H3/p+1
InChIKeyYAFWOZQTNHUIBF-UHFFFAOYSA-O
XLogP3.34
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-ethylazanium?
The IUPAC name of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-ethylazanium (CID 7425155) is [5-(2,5-dichlorophenyl)furan-2-yl]methyl-ethylazanium.
What is the SMILES notation for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-ethylazanium?
The canonical SMILES for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-ethylazanium is CC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-ethylazanium?
The InChIKey is YAFWOZQTNHUIBF-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H13Cl2NO/c1-2-16-8-10-4-6-13(17-10)11-7-9(14)3-5-12(11)15/h3-7,16H,2,8H2,1H3/p+1.
What are the key properties of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-ethylazanium?
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-ethylazanium has a molecular weight of 271.17 g/mol, XLogP of 3.34, 4 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-ethylazanium is sourced from PubChem (CID 7425155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).