2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide

C17H19BrN2O — CID 114883994

IUPAC2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H19BrN2O/c1-17(2,3)11-7-9-12(10-8-11)21-14-6-4-5-13(18)15(14)16(19)20/h4-10H,1-3H3,(H3,19,20)
InChIKeyLEBCGXPAZRPCLJ-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.82
Rot. Bonds3

About 2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide

2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide (PubChem CID 114883994) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide
PubChem CID114883994
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H19BrN2O/c1-17(2,3)11-7-9-12(10-8-11)21-14-6-4-5-13(18)15(14)16(19)20/h4-10H,1-3H3,(H3,19,20)
InChIKeyLEBCGXPAZRPCLJ-UHFFFAOYSA-N
XLogP4.82
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 114884034
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
2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide
CID 114884097
2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide
CID 107930737
2-bromo-6-octoxybenzenecarboximidamide
CID 114884017
2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide
CID 63523810
2-bromo-6-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 114884059
2-chloro-6-phenoxybenzenecarboximidamide
CID 53416807
2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide
CID 79520315

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide (CID 114883994) is 2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1c(Br)cccc1Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide?
The InChIKey is LEBCGXPAZRPCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-17(2,3)11-7-9-12(10-8-11)21-14-6-4-5-13(18)15(14)16(19)20/h4-10H,1-3H3,(H3,19,20).
What are the key properties of 2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide?
2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide has a molecular weight of 347.26 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 114883994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).