3-(4-bromo-2-chlorophenoxy)propanimidamide

C9H10BrClN2O — CID 43114303

IUPAC3-(4-bromo-2-chlorophenoxy)propanimidamide
SMILES[H]/N=C(\N)CCOc1ccc(Br)cc1Cl
InChIInChI=1S/C9H10BrClN2O/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13/h1-2,5H,3-4H2,(H3,12,13)
InChIKeyQYBRKWDGYJHWAX-UHFFFAOYSA-N
MW277.55 g/mol
LogP2.81
Rot. Bonds4

About 3-(4-bromo-2-chlorophenoxy)propanimidamide

3-(4-bromo-2-chlorophenoxy)propanimidamide (PubChem CID 43114303) has the molecular formula C9H10BrClN2O and a molecular weight of 277.55 g/mol. Its IUPAC name is 3-(4-bromo-2-chlorophenoxy)propanimidamide.

Molecular Properties

Compound Name3-(4-bromo-2-chlorophenoxy)propanimidamide
PubChem CID43114303
Molecular FormulaC9H10BrClN2O
Molecular Weight277.55 g/mol
Exact Mass275.97
IUPAC Name3-(4-bromo-2-chlorophenoxy)propanimidamide
SMILES[H]/N=C(\N)CCOc1ccc(Br)cc1Cl
InChIInChI=1S/C9H10BrClN2O/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13/h1-2,5H,3-4H2,(H3,12,13)
InChIKeyQYBRKWDGYJHWAX-UHFFFAOYSA-N
XLogP2.81
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-bromo-2-chlorophenoxy)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

5-(2,4-dibromophenoxy)pentanimidamide
CID 64718456
6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712361
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
4-(4-bromo-2-chlorophenoxy)butanenitrile
CID 43082909
4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483738
3-(2-fluoro-5-methylphenoxy)propanimidamide
CID 64853456
3-(2-methoxyphenoxy)propanimidamide
CID 24698290
3-(2,5-difluorophenoxy)propanimidamide
CID 63269341
2-[(4-bromo-2-chlorophenoxy)methyl]prop-2-en-1-amine
CID 103066434
2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine
CID 6459407
5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine
CID 65255968
(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 106933022

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chlorophenoxy)propanimidamide?
The IUPAC name of 3-(4-bromo-2-chlorophenoxy)propanimidamide (CID 43114303) is 3-(4-bromo-2-chlorophenoxy)propanimidamide.
What is the SMILES notation for 3-(4-bromo-2-chlorophenoxy)propanimidamide?
The canonical SMILES for 3-(4-bromo-2-chlorophenoxy)propanimidamide is [H]/N=C(\N)CCOc1ccc(Br)cc1Cl.
What is the InChIKey of 3-(4-bromo-2-chlorophenoxy)propanimidamide?
The InChIKey is QYBRKWDGYJHWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13/h1-2,5H,3-4H2,(H3,12,13).
What are the key properties of 3-(4-bromo-2-chlorophenoxy)propanimidamide?
3-(4-bromo-2-chlorophenoxy)propanimidamide has a molecular weight of 277.55 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chlorophenoxy)propanimidamide is sourced from PubChem (CID 43114303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).