1-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-3-methylurea;methane

C126H150BrClFIN14O14 — CID 158130313

About 1-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-3-methylurea;methane

1-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-3-methylurea;methane (PubChem CID 158130313) has the molecular formula C126H150BrClFIN14O14 and a molecular weight of 2345.93 g/mol. Its IUPAC name is 1-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-3-methylurea;methane.

Molecular Properties

• Compound Name: 1-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-3-methylurea;methane
• PubChem CID: 158130313
• Molecular Formula: C126H150BrClFIN14O14
• Molecular Weight: 2345.93 g/mol
• Exact Mass: 2342.94
• IUPAC Name: 1-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-3-methylurea;methane
• SMILES: C.CCc1cccc(COc2ccc(C)cc2C)c1NC(=O)NC.CNC(=O)Nc1c(Br)cccc1COc1ccc(C)cc1C.CNC(=O)Nc1c(C)cccc1COc1ccc(C)cc1C.CNC(=O)Nc1c(COc2ccc(C)cc2C)cccc1C1CC1.CNC(=O)Nc1c(Cl)cccc1COc1ccc(C)cc1C.CNC(=O)Nc1c(F)cccc1COc1ccc(C)cc1C.CNC(=O)Nc1c(I)cccc1COc1ccc(C)cc1C
• InChI: InChI=1S/C20H24N2O2.C19H24N2O2.C18H22N2O2.C17H19BrN2O2.C17H19ClN2O2.C17H19FN2O2.C17H19IN2O2.CH4/c1-13-7-10-18(14(2)11-13)24-12-16-5-4-6-17(15-8-9-15)19(16)22-20(23)21-3;1-5-15-7-6-8-16(18(15)21-19(22)20-4)12-23-17-10-9-13(2)11-14(17)3;1-12-8-9-16(14(3)10-12)22-11-15-7-5-6-13(2)17(15)20-18(21)19-4;4*1-11-7-8-15(12(2)9-11)22-10-13-5-4-6-14(18)16(13)20-17(21)19-3;/h4-7,10-11,15H,8-9,12H2,1-3H3,(H2,21,22,23);6-11H,5,12H2,1-4H3,(H2,20,21,22);5-10H,11H2,1-4H3,(H2,19,20,21);4*4-9H,10H2,1-3H3,(H2,19,20,21);1H4
• InChIKey: FSRRBBGDPCPJNT-UHFFFAOYSA-N
• XLogP: 29.98
• TPSA: 352.52 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 14
• Rotatable Bonds: 30
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2345.93
LogP ≤ 5	29.98
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-3-methylurea;methane?

The IUPAC name of 1-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-3-methylurea;methane (CID 158130313) is 1-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-3-methylurea;methane.

What is the SMILES notation for 1-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-3-methylurea;methane?

The canonical SMILES for 1-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-3-methylurea;methane is C.CCc1cccc(COc2ccc(C)cc2C)c1NC(=O)NC.CNC(=O)Nc1c(Br)cccc1COc1ccc(C)cc1C.CNC(=O)Nc1c(C)cccc1COc1ccc(C)cc1C.CNC(=O)Nc1c(COc2ccc(C)cc2C)cccc1C1CC1.CNC(=O)Nc1c(Cl)cccc1COc1ccc(C)cc1C.CNC(=O)Nc1c(F)cccc1COc1ccc(C)cc1C.CNC(=O)Nc1c(I)cccc1COc1ccc(C)cc1C.

What is the InChIKey of 1-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-3-methylurea;methane?

The InChIKey is FSRRBBGDPCPJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.C19H24N2O2.C18H22N2O2.C17H19BrN2O2.C17H19ClN2O2.C17H19FN2O2.C17H19IN2O2.CH4/c1-13-7-10-18(14(2)11-13)24-12-16-5-4-6-17(15-8-9-15)19(16)22-20(23)21-3;1-5-15-7-6-8-16(18(15)21-19(22)20-4)12-23-17-10-9-13(2)11-14(17)3;1-12-8-9-16(14(3)10-12)22-11-15-7-5-6-13(2)17(15)20-18(21)19-4;4*1-11-7-8-15(12(2)9-11)22-10-13-5-4-6-14(18)16(13)20-17(21)19-3;/h4-7,10-11,15H,8-9,12H2,1-3H3,(H2,21,22,23);6-11H,5,12H2,1-4H3,(H2,20,21,22);5-10H,11H2,1-4H3,(H2,19,20,21);4*4-9H,10H2,1-3H3,(H2,19,20,21);1H4.

What are the key properties of 1-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-3-methylurea;methane?

1-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-3-methylurea;methane has a molecular weight of 2345.93 g/mol, XLogP of 29.98, 30 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-3-methylurea;methane is sourced from PubChem (CID 158130313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).