3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride

C15H16BrClN2O — CID 82253913

IUPAC3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(COCc2ccc(Br)cc2)c1
InChIInChI=1S/C15H15BrN2O.ClH/c16-14-6-4-11(5-7-14)9-19-10-12-2-1-3-13(8-12)15(17)18;/h1-8H,9-10H2,(H3,17,18);1H
InChIKeyNPWHWNSPQLUELR-UHFFFAOYSA-N
MW355.66 g/mol
LogP3.87
Rot. Bonds5

About 3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride

3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride (PubChem CID 82253913) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
PubChem CID82253913
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(COCc2ccc(Br)cc2)c1
InChIInChI=1S/C15H15BrN2O.ClH/c16-14-6-4-11(5-7-14)9-19-10-12-2-1-3-13(8-12)15(17)18;/h1-8H,9-10H2,(H3,17,18);1H
InChIKeyNPWHWNSPQLUELR-UHFFFAOYSA-N
XLogP3.87
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 53.87
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

3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
CID 82253918
4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82253711
3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide
CID 82824732
3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide
CID 54966719
3-[(4-bromo-2-methylphenoxy)methyl]benzenecarboximidamide
CID 63216529
3,5-dibromo-4-[(3-carbamimidoylphenyl)methoxy]benzenecarboximidamide
CID 73353685
3-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331398
4-[(3-bromophenoxy)methyl]benzenecarboximidamide;hydrochloride
CID 82253881
3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
CID 107709017
4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride
CID 155776597
4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82240742
4-[(3-bromophenoxy)methyl]benzenecarboximidamide
CID 24705552

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride?
The IUPAC name of 3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride (CID 82253913) is 3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cccc(COCc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride?
The InChIKey is NPWHWNSPQLUELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O.ClH/c16-14-6-4-11(5-7-14)9-19-10-12-2-1-3-13(8-12)15(17)18;/h1-8H,9-10H2,(H3,17,18);1H.
What are the key properties of 3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride?
3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride has a molecular weight of 355.66 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82253913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).