1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea

C12H17BrN2O — CID 115169643

IUPAC1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea
SMILESCNC(=O)NCC(C)(C)c1ccccc1Br
InChIInChI=1S/C12H17BrN2O/c1-12(2,8-15-11(16)14-3)9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3,(H2,14,15,16)
InChIKeyRROQDFNFLXBHDU-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.66
Rot. Bonds3

About 1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea

1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea (PubChem CID 115169643) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea
PubChem CID115169643
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea
SMILESCNC(=O)NCC(C)(C)c1ccccc1Br
InChIInChI=1S/C12H17BrN2O/c1-12(2,8-15-11(16)14-3)9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3,(H2,14,15,16)
InChIKeyRROQDFNFLXBHDU-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152840
methyl 3-[[2-(2-bromophenyl)-2-methylpropyl]amino]-3-oxopropanoate
CID 115174564
1-methyl-3-(2-methyl-2-phenylpropyl)urea
CID 47166668
3-[[2-(2-bromophenyl)-2-methylpropyl]amino]-2-methyl-3-oxopropanoic acid
CID 115164425
N-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide
CID 115158174
[[2-(2-bromophenyl)-2-methylpropyl]amino] acetate
CID 174811671
3-[[2-(2-bromophenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid
CID 122007312
3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide
CID 115161777
1-N-[2-(2-bromophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222592
2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263726
S-[2-(2-bromophenyl)-2-methylpropyl] ethanethioate
CID 121013646
4-(2-bromophenyl)-1,1,1-trifluoro-4-methylpentan-2-one
CID 58026165

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea?
The IUPAC name of 1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea (CID 115169643) is 1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea.
What is the SMILES notation for 1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea?
The canonical SMILES for 1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea is CNC(=O)NCC(C)(C)c1ccccc1Br.
What is the InChIKey of 1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea?
The InChIKey is RROQDFNFLXBHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-12(2,8-15-11(16)14-3)9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea?
1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea has a molecular weight of 285.19 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea is sourced from PubChem (CID 115169643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).