1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea

C12H18BrN3O — CID 108988244

IUPAC1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea
SMILESCc1ccc(NC(=O)NCCN(C)C)c(Br)c1
InChIInChI=1S/C12H18BrN3O/c1-9-4-5-11(10(13)8-9)15-12(17)14-6-7-16(2)3/h4-5,8H,6-7H2,1-3H3,(H2,14,15,17)
InChIKeyKASCDZBCHNAVDV-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.44
Rot. Bonds4

About 1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea

1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea (PubChem CID 108988244) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea
PubChem CID108988244
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea
SMILESCc1ccc(NC(=O)NCCN(C)C)c(Br)c1
InChIInChI=1S/C12H18BrN3O/c1-9-4-5-11(10(13)8-9)15-12(17)14-6-7-16(2)3/h4-5,8H,6-7H2,1-3H3,(H2,14,15,17)
InChIKeyKASCDZBCHNAVDV-UHFFFAOYSA-N
XLogP2.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-bromo-4-methylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943932
1-(2-bromo-4-methylphenyl)-3-butylurea
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1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52543091
1-(2-bromo-4-methylphenyl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea
CID 60542899
2-[3-(dimethylamino)propylcarbamoylamino]-5-methylbenzoic acid
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1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
N-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115295
6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115475
1-(2-bromo-4-methylphenyl)-3-[3-(2-methylpropoxy)propyl]urea
CID 47133437
1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108991373
1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 47195659
6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366304

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea (CID 108988244) is 1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea is Cc1ccc(NC(=O)NCCN(C)C)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea?
The InChIKey is KASCDZBCHNAVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-9-4-5-11(10(13)8-9)15-12(17)14-6-7-16(2)3/h4-5,8H,6-7H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea?
1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea has a molecular weight of 300.20 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea is sourced from PubChem (CID 108988244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).