2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide

C11H14BrClN2O2 — CID 114266444

IUPAC2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide
SMILES[H]/N=C(\N)C(C)OCCOc1ccc(Cl)cc1Br
InChIInChI=1S/C11H14BrClN2O2/c1-7(11(14)15)16-4-5-17-10-3-2-8(13)6-9(10)12/h2-3,6-7H,4-5H2,1H3,(H3,14,15)
InChIKeyHNPVKEHVWQPYMB-UHFFFAOYSA-N
MW321.60 g/mol
LogP2.82
Rot. Bonds6

About 2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide

2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide (PubChem CID 114266444) has the molecular formula C11H14BrClN2O2 and a molecular weight of 321.60 g/mol. Its IUPAC name is 2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide.

Molecular Properties

Compound Name2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide
PubChem CID114266444
Molecular FormulaC11H14BrClN2O2
Molecular Weight321.60 g/mol
Exact Mass319.99
IUPAC Name2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide
SMILES[H]/N=C(\N)C(C)OCCOc1ccc(Cl)cc1Br
InChIInChI=1S/C11H14BrClN2O2/c1-7(11(14)15)16-4-5-17-10-3-2-8(13)6-9(10)12/h2-3,6-7H,4-5H2,1H3,(H3,14,15)
InChIKeyHNPVKEHVWQPYMB-UHFFFAOYSA-N
XLogP2.82
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethyl-[(2R)-butan-2-yl]azanium
CID 2184823
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 8525699
3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide
CID 43368818
3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide
CID 43175176
4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline
CID 43365979
1-(2-bromo-4-chlorophenoxy)butan-2-ol
CID 60880670
N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119996642
6-(2-bromo-4-chlorophenoxy)hexan-1-ol
CID 103801828
1-(2-bromo-4-chlorophenoxy)-3-methylbutan-2-one
CID 78949293
2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethyl-dimethylazanium
CID 2184806
ethyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43365233
3-bromo-4-(4-methylpentoxy)benzenecarboximidamide
CID 82799328

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide?
The IUPAC name of 2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide (CID 114266444) is 2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide.
What is the SMILES notation for 2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide?
The canonical SMILES for 2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide is [H]/N=C(\N)C(C)OCCOc1ccc(Cl)cc1Br.
What is the InChIKey of 2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide?
The InChIKey is HNPVKEHVWQPYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2/c1-7(11(14)15)16-4-5-17-10-3-2-8(13)6-9(10)12/h2-3,6-7H,4-5H2,1H3,(H3,14,15).
What are the key properties of 2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide?
2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide has a molecular weight of 321.60 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4-chlorophenoxy)ethoxy]propanimidamide is sourced from PubChem (CID 114266444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).