4-(2-bromophenoxy)-3-methylbenzenecarboximidamide

C14H13BrN2O — CID 54933599

IUPAC4-(2-bromophenoxy)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccccc2Br)c(C)c1
InChIInChI=1S/C14H13BrN2O/c1-9-8-10(14(16)17)6-7-12(9)18-13-5-3-2-4-11(13)15/h2-8H,1H3,(H3,16,17)
InChIKeyBZZZWZNBVJDYQC-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.83
Rot. Bonds3

About 4-(2-bromophenoxy)-3-methylbenzenecarboximidamide

4-(2-bromophenoxy)-3-methylbenzenecarboximidamide (PubChem CID 54933599) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-bromophenoxy)-3-methylbenzenecarboximidamide
PubChem CID54933599
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name4-(2-bromophenoxy)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccccc2Br)c(C)c1
InChIInChI=1S/C14H13BrN2O/c1-9-8-10(14(16)17)6-7-12(9)18-13-5-3-2-4-11(13)15/h2-8H,1H3,(H3,16,17)
InChIKeyBZZZWZNBVJDYQC-UHFFFAOYSA-N
XLogP3.83
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.83
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

4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483695
2-(2-bromophenoxy)benzenecarboximidamide
CID 28601496
3-bromo-4-(4-methylphenoxy)benzenecarboximidamide
CID 82799325
3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 82800181
3-methyl-4-propan-2-yloxybenzenecarboximidamide
CID 60929364
3-bromo-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 82799225
3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide
CID 107658516
3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide
CID 82799441
4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide
CID 107284677
4-butoxy-3-methylbenzenecarboximidamide
CID 60929965
4-[(2-bromo-5-fluorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483819
3-bromo-4-(5-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 82786749

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-3-methylbenzenecarboximidamide?
The IUPAC name of 4-(2-bromophenoxy)-3-methylbenzenecarboximidamide (CID 54933599) is 4-(2-bromophenoxy)-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(2-bromophenoxy)-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-(2-bromophenoxy)-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccccc2Br)c(C)c1.
What is the InChIKey of 4-(2-bromophenoxy)-3-methylbenzenecarboximidamide?
The InChIKey is BZZZWZNBVJDYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-9-8-10(14(16)17)6-7-12(9)18-13-5-3-2-4-11(13)15/h2-8H,1H3,(H3,16,17).
What are the key properties of 4-(2-bromophenoxy)-3-methylbenzenecarboximidamide?
4-(2-bromophenoxy)-3-methylbenzenecarboximidamide has a molecular weight of 305.18 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-3-methylbenzenecarboximidamide is sourced from PubChem (CID 54933599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).