1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea

C11H15BrN2O — CID 115169289

IUPAC1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)Cc1cc(Br)ccc1C
InChIInChI=1S/C11H15BrN2O/c1-8-4-5-10(12)6-9(8)7-14(3)11(15)13-2/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeyIGIGJMWRSHFTIX-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.53
Rot. Bonds2

About 1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea

1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea (PubChem CID 115169289) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea
PubChem CID115169289
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)Cc1cc(Br)ccc1C
InChIInChI=1S/C11H15BrN2O/c1-8-4-5-10(12)6-9(8)7-14(3)11(15)13-2/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeyIGIGJMWRSHFTIX-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
CID 23563161
1-(5-bromo-2-methylphenyl)-1,3-dimethylurea
CID 115169063
1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115189906
4-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylbenzamide
CID 115161027
3-amino-N-[(5-bromo-2-methylphenyl)methyl]-N,2,2-trimethylpropanamide
CID 115154703
N-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide
CID 115158503
3-(5-bromo-2-methylphenyl)-N-methylpropanamide
CID 175640047
3-[[(5-bromo-2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 122019134
N-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine
CID 115262115
N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115159785
3-[(5-bromo-2-methylphenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042440
N'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide
CID 115192249

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea?
The IUPAC name of 1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea (CID 115169289) is 1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea?
The canonical SMILES for 1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea is CNC(=O)N(C)Cc1cc(Br)ccc1C.
What is the InChIKey of 1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea?
The InChIKey is IGIGJMWRSHFTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8-4-5-10(12)6-9(8)7-14(3)11(15)13-2/h4-6H,7H2,1-3H3,(H,13,15).
What are the key properties of 1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea?
1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea has a molecular weight of 271.16 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea is sourced from PubChem (CID 115169289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).