3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide

C16H17BrN2O2 — CID 107657260

IUPAC3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OCc2cc(OC)ccc2Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-10-3-4-11(16(18)19)8-15(10)21-9-12-7-13(20-2)5-6-14(12)17/h3-8H,9H2,1-2H3,(H3,18,19)
InChIKeyXZKDQWLGEYNFOT-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.63
Rot. Bonds5

About 3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide

3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide (PubChem CID 107657260) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
PubChem CID107657260
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OCc2cc(OC)ccc2Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-10-3-4-11(16(18)19)8-15(10)21-9-12-7-13(20-2)5-6-14(12)17/h3-8H,9H2,1-2H3,(H3,18,19)
InChIKeyXZKDQWLGEYNFOT-UHFFFAOYSA-N
XLogP3.63
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.63
H-Bond Donors ≤ 52
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

3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657180
1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
CID 102983162
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide
CID 102724538
4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483679
3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107666555
4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483695
3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657148
4-[(2-bromo-5-fluorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483819
4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483676
4-[(2-bromo-5-methoxyphenyl)methoxy]-3-chlorobenzenecarbothioamide
CID 65322766
4-[[3-[(4-carbamimidoyl-2-methoxyphenyl)methoxy]-5-methylphenoxy]methyl]-3-methoxybenzenecarboximidamide
CID 157208014
6-methoxynaphthalene-2-carboximidamide
CID 3274917

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide?
The IUPAC name of 3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide (CID 107657260) is 3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide.
What is the SMILES notation for 3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide?
The canonical SMILES for 3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)c(OCc2cc(OC)ccc2Br)c1.
What is the InChIKey of 3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide?
The InChIKey is XZKDQWLGEYNFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10-3-4-11(16(18)19)8-15(10)21-9-12-7-13(20-2)5-6-14(12)17/h3-8H,9H2,1-2H3,(H3,18,19).
What are the key properties of 3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide?
3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide has a molecular weight of 349.23 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide is sourced from PubChem (CID 107657260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).