3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide

C15H15BrN2O — CID 82253918

IUPAC3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COCc2ccccc2Br)c1
InChIInChI=1S/C15H15BrN2O/c16-14-7-2-1-5-13(14)10-19-9-11-4-3-6-12(8-11)15(17)18/h1-8H,9-10H2,(H3,17,18)
InChIKeyKZPWZUOGGMKOMD-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.45
Rot. Bonds5

About 3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide

3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide (PubChem CID 82253918) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
PubChem CID82253918
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COCc2ccccc2Br)c1
InChIInChI=1S/C15H15BrN2O/c16-14-7-2-1-5-13(14)10-19-9-11-4-3-6-12(8-11)15(17)18/h1-8H,9-10H2,(H3,17,18)
InChIKeyKZPWZUOGGMKOMD-UHFFFAOYSA-N
XLogP3.45
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.45
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]benzenecarbothioamide
CID 82826436
3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82253913
2-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
CID 80502922
3,5-dibromo-4-[(3-carbamimidoylphenyl)methoxy]benzenecarboximidamide
CID 73353685
3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide
CID 54966719
2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide
CID 82823576
3-[(2-bromophenyl)methoxymethyl]pyridine-2-carboximidamide
CID 82823385
3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide
CID 82824732
3-[[2-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
CID 107712654
3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
CID 43128901
3-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 24701017
3-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331398

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide?
The IUPAC name of 3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide (CID 82253918) is 3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide.
What is the SMILES notation for 3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide?
The canonical SMILES for 3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(COCc2ccccc2Br)c1.
What is the InChIKey of 3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide?
The InChIKey is KZPWZUOGGMKOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-14-7-2-1-5-13(14)10-19-9-11-4-3-6-12(8-11)15(17)18/h1-8H,9-10H2,(H3,17,18).
What are the key properties of 3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide?
3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide has a molecular weight of 319.20 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide is sourced from PubChem (CID 82253918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).