2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride

C14H14BrClN2O — CID 82253873

IUPAC2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1OCc1ccccc1Br
InChIInChI=1S/C14H13BrN2O.ClH/c15-12-7-3-1-5-10(12)9-18-13-8-4-2-6-11(13)14(16)17;/h1-8H,9H2,(H3,16,17);1H
InChIKeyVSQLRFZSTOHKAA-UHFFFAOYSA-N
MW341.64 g/mol
LogP3.73
Rot. Bonds4

About 2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride

2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride (PubChem CID 82253873) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride
PubChem CID82253873
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1OCc1ccccc1Br
InChIInChI=1S/C14H13BrN2O.ClH/c15-12-7-3-1-5-10(12)9-18-13-8-4-2-6-11(13)14(16)17;/h1-8H,9H2,(H3,16,17);1H
InChIKeyVSQLRFZSTOHKAA-UHFFFAOYSA-N
XLogP3.73
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 53.73
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-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118102
2-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
CID 80502922
2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658905
2-(2-bromophenoxy)benzenecarboximidamide
CID 28601496
2-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 62196027
3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide
CID 62893374
2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide
CID 82823576
2-prop-2-enoxybenzenecarboximidamide;hydrochloride
CID 22462384
2-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 24702540
2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253513
2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide
CID 79706034
2-(furan-2-ylmethoxy)benzenecarboximidamide
CID 28601541

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride?
The IUPAC name of 2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride (CID 82253873) is 2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccccc1OCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride?
The InChIKey is VSQLRFZSTOHKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O.ClH/c15-12-7-3-1-5-10(12)9-18-13-8-4-2-6-11(13)14(16)17;/h1-8H,9H2,(H3,16,17);1H.
What are the key properties of 2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride?
2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride has a molecular weight of 341.64 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82253873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).