4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide

C14H13BrN2O2 — CID 114904864

IUPAC4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1Oc1ccc(CO)cc1
InChIInChI=1S/C14H13BrN2O2/c15-10-3-6-12(14(16)17)13(7-10)19-11-4-1-9(8-18)2-5-11/h1-7,18H,8H2,(H3,16,17)
InChIKeyGJEJVZUUKWUGTD-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.02
Rot. Bonds4

About 4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide

4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide (PubChem CID 114904864) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
PubChem CID114904864
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1Oc1ccc(CO)cc1
InChIInChI=1S/C14H13BrN2O2/c15-10-3-6-12(14(16)17)13(7-10)19-11-4-1-9(8-18)2-5-11/h1-7,18H,8H2,(H3,16,17)
InChIKeyGJEJVZUUKWUGTD-UHFFFAOYSA-N
XLogP3.02
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114893307
4-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
CID 114904744
5-bromo-2-(4-butylphenoxy)benzenecarboximidamide
CID 114893367
4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114904944
5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarbothioamide
CID 114892255
5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide
CID 114893227
[4-(2,4-dibromophenoxy)phenyl]methanol
CID 64720453
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
CID 81276266
2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279683
2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide
CID 81303045
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
4-[(4-bromophenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791107

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide?
The IUPAC name of 4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide (CID 114904864) is 4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide?
The canonical SMILES for 4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Br)cc1Oc1ccc(CO)cc1.
What is the InChIKey of 4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide?
The InChIKey is GJEJVZUUKWUGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-10-3-6-12(14(16)17)13(7-10)19-11-4-1-9(8-18)2-5-11/h1-7,18H,8H2,(H3,16,17).
What are the key properties of 4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide?
4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide has a molecular weight of 321.17 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide is sourced from PubChem (CID 114904864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).