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

C15H15BrN2O2 — CID 107712613

IUPAC2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccccc2CCO)cc1Br
InChIInChI=1S/C15H15BrN2O2/c16-13-9-11(5-6-12(13)15(17)18)20-14-4-2-1-3-10(14)7-8-19/h1-6,9,19H,7-8H2,(H3,17,18)
InChIKeyCLLGQWCPRWCKLK-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.06
Rot. Bonds5

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

2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide (PubChem CID 107712613) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
PubChem CID107712613
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccccc2CCO)cc1Br
InChIInChI=1S/C15H15BrN2O2/c16-13-9-11(5-6-12(13)15(17)18)20-14-4-2-1-3-10(14)7-8-19/h1-6,9,19H,7-8H2,(H3,17,18)
InChIKeyCLLGQWCPRWCKLK-UHFFFAOYSA-N
XLogP3.06
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.06
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

2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide
CID 107279513
2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide
CID 107279485
5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712610
2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile
CID 107712390
3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide
CID 107712652
2-bromo-4-quinolin-5-yloxybenzenecarboximidamide
CID 107279689
2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279683
2-bromo-4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724642
1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone
CID 107711840
2-fluoro-6-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712612
2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708988

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The IUPAC name of 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide (CID 107712613) is 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The canonical SMILES for 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccccc2CCO)cc1Br.
What is the InChIKey of 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The InChIKey is CLLGQWCPRWCKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-13-9-11(5-6-12(13)15(17)18)20-14-4-2-1-3-10(14)7-8-19/h1-6,9,19H,7-8H2,(H3,17,18).
What are the key properties of 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide has a molecular weight of 335.20 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide is sourced from PubChem (CID 107712613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).