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

C15H15BrN2O — CID 114483676

IUPAC4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C15H15BrN2O/c1-10-8-11(15(17)18)2-3-12(10)9-19-14-6-4-13(16)5-7-14/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyKTAPZNKTLDMJRR-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.62
Rot. Bonds4

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

4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide (PubChem CID 114483676) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
PubChem CID114483676
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C15H15BrN2O/c1-10-8-11(15(17)18)2-3-12(10)9-19-14-6-4-13(16)5-7-14/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyKTAPZNKTLDMJRR-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'}

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

4-[(4-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483678
4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483738
4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483695
4-[(2-bromo-5-fluorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483819
4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483679
4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide
CID 61481990
4-[(4-chloro-2-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483691
4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide
CID 114483735
2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63290597
4-[(2-chloro-5-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483760
3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657260
4-[[3-[(4-carbamimidoyl-2-methoxyphenyl)methoxy]-5-methylphenoxy]methyl]-3-methoxybenzenecarboximidamide
CID 157208014

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide (CID 114483676) is 4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(COc2ccc(Br)cc2)c(C)c1.
What is the InChIKey of 4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide?
The InChIKey is KTAPZNKTLDMJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-8-11(15(17)18)2-3-12(10)9-19-14-6-4-13(16)5-7-14/h2-8H,9H2,1H3,(H3,17,18).
What are the key properties of 4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide?
4-[(4-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-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).