2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide

C15H15BrN2O2 — CID 107708988

IUPAC2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1Oc1ccc(CCO)cc1
InChIInChI=1S/C15H15BrN2O2/c16-12-2-1-3-13(14(12)15(17)18)20-11-6-4-10(5-7-11)8-9-19/h1-7,19H,8-9H2,(H3,17,18)
InChIKeyINBLRGWKWNXYGE-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.06
Rot. Bonds5

About 2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide

2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide (PubChem CID 107708988) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
PubChem CID107708988
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1Oc1ccc(CCO)cc1
InChIInChI=1S/C15H15BrN2O2/c16-12-2-1-3-13(14(12)15(17)18)20-11-6-4-10(5-7-11)8-9-19/h1-7,19H,8-9H2,(H3,17,18)
InChIKeyINBLRGWKWNXYGE-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'}

Analyze 2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide
CID 114883994
2-bromo-6-(4-butan-2-ylphenoxy)benzenecarboximidamide
CID 107665095
2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 114884034
4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709008
2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide
CID 114883946
2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide
CID 79520315
2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide
CID 114884097
2-bromo-6-(4-butylphenoxy)benzenecarbothioamide
CID 114882979
2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107709009
2-bromo-6-(3-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 114884047
2-bromo-6-(4-ethylphenoxy)benzenecarbothioamide
CID 114882842
2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712613

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The IUPAC name of 2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide (CID 107708988) is 2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The canonical SMILES for 2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide is [H]/N=C(\N)c1c(Br)cccc1Oc1ccc(CCO)cc1.
What is the InChIKey of 2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The InChIKey is INBLRGWKWNXYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-12-2-1-3-13(14(12)15(17)18)20-11-6-4-10(5-7-11)8-9-19/h1-7,19H,8-9H2,(H3,17,18).
What are the key properties of 2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
2-bromo-6-[4-(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-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide is sourced from PubChem (CID 107708988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).