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

C14H13BrN2O2 — CID 114893307

IUPAC5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Oc1ccc(CO)cc1
InChIInChI=1S/C14H13BrN2O2/c15-10-3-6-13(12(7-10)14(16)17)19-11-4-1-9(8-18)2-5-11/h1-7,18H,8H2,(H3,16,17)
InChIKeyAMIZAYVUAYYUKB-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.02
Rot. Bonds4

About 5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide

5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide (PubChem CID 114893307) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
PubChem CID114893307
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Oc1ccc(CO)cc1
InChIInChI=1S/C14H13BrN2O2/c15-10-3-6-13(12(7-10)14(16)17)19-11-4-1-9(8-18)2-5-11/h1-7,18H,8H2,(H3,16,17)
InChIKeyAMIZAYVUAYYUKB-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

4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114904864
5-bromo-2-(4-butylphenoxy)benzenecarboximidamide
CID 114893367
5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide
CID 114893227
5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarbothioamide
CID 114892255
[4-(2,4-dibromophenoxy)phenyl]methanol
CID 64720453
5-bromo-2-butoxybenzenecarboximidamide
CID 114893278
5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
CID 114893189
5-bromo-2-(3-chlorophenoxy)benzenecarboximidamide
CID 114893186
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114893388
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
CID 81276266
5-bromo-2-(3-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 114893294
5-bromo-2-(3-nitrophenoxy)benzenecarboximidamide
CID 114893291

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide?
The IUPAC name of 5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide (CID 114893307) is 5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide?
The canonical SMILES for 5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1Oc1ccc(CO)cc1.
What is the InChIKey of 5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide?
The InChIKey is AMIZAYVUAYYUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-10-3-6-13(12(7-10)14(16)17)19-11-4-1-9(8-18)2-5-11/h1-7,18H,8H2,(H3,16,17).
What are the key properties of 5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide?
5-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 5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide is sourced from PubChem (CID 114893307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).