4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide

C15H14BrClN2O — CID 114483738

IUPAC4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2ccc(Br)cc2Cl)c(C)c1
InChIInChI=1S/C15H14BrClN2O/c1-9-6-10(15(18)19)2-3-11(9)8-20-14-5-4-12(16)7-13(14)17/h2-7H,8H2,1H3,(H3,18,19)
InChIKeyDYVIHVBXSNCOEX-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.27
Rot. Bonds4

About 4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide

4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide (PubChem CID 114483738) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
PubChem CID114483738
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2ccc(Br)cc2Cl)c(C)c1
InChIInChI=1S/C15H14BrClN2O/c1-9-6-10(15(18)19)2-3-11(9)8-20-14-5-4-12(16)7-13(14)17/h2-7H,8H2,1H3,(H3,18,19)
InChIKeyDYVIHVBXSNCOEX-UHFFFAOYSA-N
XLogP4.27
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.27
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'}

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Related Compounds

4-[(2-chloro-5-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483760
4-[(4-chloro-2-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483691
4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483695
4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483676
4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483679
4-[(2-bromo-5-fluorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483819
4-[(4-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483678
4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide
CID 107284677
4-[(4-bromo-2,5-dichlorophenoxy)methyl]-3-chlorobenzenecarboximidamide
CID 107658546
3-chloro-4-[(2,3-dimethylphenoxy)methyl]benzenecarboximidamide
CID 102668113
4-[(2,4-dibromophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483303
3-[(4-bromo-2-methylphenoxy)methyl]benzenecarboximidamide
CID 63216529

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide (CID 114483738) is 4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(COc2ccc(Br)cc2Cl)c(C)c1.
What is the InChIKey of 4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide?
The InChIKey is DYVIHVBXSNCOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-9-6-10(15(18)19)2-3-11(9)8-20-14-5-4-12(16)7-13(14)17/h2-7H,8H2,1H3,(H3,18,19).
What are the key properties of 4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide?
4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide has a molecular weight of 353.65 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).