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

C14H16Cl2NO+ — CID 41494863

IUPAC[5-(2,5-dichlorophenyl)furan-2-yl]methyl-propan-2-ylazanium
SMILESCC(C)[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C14H15Cl2NO/c1-9(2)17-8-11-4-6-14(18-11)12-7-10(15)3-5-13(12)16/h3-7,9,17H,8H2,1-2H3/p+1
InChIKeyUBZILBONWIAPJX-UHFFFAOYSA-O
MW285.19 g/mol
LogP3.73
Rot. Bonds4

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

[5-(2,5-dichlorophenyl)furan-2-yl]methyl-propan-2-ylazanium (PubChem CID 41494863) has the molecular formula C14H16Cl2NO+ and a molecular weight of 285.19 g/mol. Its IUPAC name is [5-(2,5-dichlorophenyl)furan-2-yl]methyl-propan-2-ylazanium.

Molecular Properties

Compound Name[5-(2,5-dichlorophenyl)furan-2-yl]methyl-propan-2-ylazanium
PubChem CID41494863
Molecular FormulaC14H16Cl2NO+
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC Name[5-(2,5-dichlorophenyl)furan-2-yl]methyl-propan-2-ylazanium
SMILESCC(C)[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C14H15Cl2NO/c1-9(2)17-8-11-4-6-14(18-11)12-7-10(15)3-5-13(12)16/h3-7,9,17H,8H2,1-2H3/p+1
InChIKeyUBZILBONWIAPJX-UHFFFAOYSA-O
XLogP3.73
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.73
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-propan-2-ylazanium?
The IUPAC name of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-propan-2-ylazanium (CID 41494863) is [5-(2,5-dichlorophenyl)furan-2-yl]methyl-propan-2-ylazanium.
What is the SMILES notation for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-propan-2-ylazanium?
The canonical SMILES for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-propan-2-ylazanium is CC(C)[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-propan-2-ylazanium?
The InChIKey is UBZILBONWIAPJX-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H15Cl2NO/c1-9(2)17-8-11-4-6-14(18-11)12-7-10(15)3-5-13(12)16/h3-7,9,17H,8H2,1-2H3/p+1.
What are the key properties of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-propan-2-ylazanium?
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-propan-2-ylazanium has a molecular weight of 285.19 g/mol, XLogP of 3.73, 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-propan-2-ylazanium is sourced from PubChem (CID 41494863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).