4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide

C15H15BrN2O — CID 114483695

IUPAC4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2ccccc2Br)c(C)c1
InChIInChI=1S/C15H15BrN2O/c1-10-8-11(15(17)18)6-7-12(10)9-19-14-5-3-2-4-13(14)16/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyCCTZTDJCGVPZHC-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.62
Rot. Bonds4

About 4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide

4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide (PubChem CID 114483695) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
PubChem CID114483695
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2ccccc2Br)c(C)c1
InChIInChI=1S/C15H15BrN2O/c1-10-8-11(15(17)18)6-7-12(10)9-19-14-5-3-2-4-13(14)16/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyCCTZTDJCGVPZHC-UHFFFAOYSA-N
XLogP3.62
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.62
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-bromo-5-fluorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483819
4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483738
4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483676
4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483679
4-(2-bromophenoxy)-3-methylbenzenecarboximidamide
CID 54933599
4-[(2-chloro-5-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483760
4-[(4-chloro-2-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483691
3-chloro-4-[(2,3-dimethylphenoxy)methyl]benzenecarboximidamide
CID 102668113
4-[(4-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483678
[4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine
CID 114479347
3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657260
4-[(4-bromo-2,5-dichlorophenoxy)methyl]-3-chlorobenzenecarboximidamide
CID 107658546

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide (CID 114483695) is 4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(COc2ccccc2Br)c(C)c1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide?
The InChIKey is CCTZTDJCGVPZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-8-11(15(17)18)6-7-12(10)9-19-14-5-3-2-4-13(14)16/h2-8H,9H2,1H3,(H3,17,18).
What are the key properties of 4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide?
4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide has a molecular weight of 319.20 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).