2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide

C15H15BrN2O3 — CID 114884034

IUPAC2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1Oc1cc(OC)cc(OC)c1
InChIInChI=1S/C15H15BrN2O3/c1-19-9-6-10(20-2)8-11(7-9)21-13-5-3-4-12(16)14(13)15(17)18/h3-8H,1-2H3,(H3,17,18)
InChIKeyMRYDCTWBZQMEGQ-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.54
Rot. Bonds5

About 2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide

2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide (PubChem CID 114884034) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide
PubChem CID114884034
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1Oc1cc(OC)cc(OC)c1
InChIInChI=1S/C15H15BrN2O3/c1-19-9-6-10(20-2)8-11(7-9)21-13-5-3-4-12(16)14(13)15(17)18/h3-8H,1-2H3,(H3,17,18)
InChIKeyMRYDCTWBZQMEGQ-UHFFFAOYSA-N
XLogP3.54
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-bromo-6-(3,5-dimethoxyphenoxy)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-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide
CID 114884097
2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708988
2-bromo-6-(4-butan-2-ylphenoxy)benzenecarboximidamide
CID 107665095
2-bromo-6-(3-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 114884047
2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide
CID 114883946
3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide
CID 82799441
2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide
CID 63524494
2-bromo-6-octoxybenzenecarboximidamide
CID 114884017
2-bromo-6-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 114884059
4-chloro-2-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 63094563
6-(3,5-dimethoxyphenoxy)pyridine-2-carboximidamide
CID 64594798

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide (CID 114884034) is 2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1c(Br)cccc1Oc1cc(OC)cc(OC)c1.
What is the InChIKey of 2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide?
The InChIKey is MRYDCTWBZQMEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-19-9-6-10(20-2)8-11(7-9)21-13-5-3-4-12(16)14(13)15(17)18/h3-8H,1-2H3,(H3,17,18).
What are the key properties of 2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide?
2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide has a molecular weight of 351.20 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide is sourced from PubChem (CID 114884034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).