1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea

C12H18N2O — CID 115168593

IUPAC1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea
SMILESCc1ccc(CCN(C)C(N)=O)cc1C
InChIInChI=1S/C12H18N2O/c1-9-4-5-11(8-10(9)2)6-7-14(3)12(13)15/h4-5,8H,6-7H2,1-3H3,(H2,13,15)
InChIKeyNVOOAYDBARGXCU-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.86
Rot. Bonds3

About 1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea

1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea (PubChem CID 115168593) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea
PubChem CID115168593
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea
SMILESCc1ccc(CCN(C)C(N)=O)cc1C
InChIInChI=1S/C12H18N2O/c1-9-4-5-11(8-10(9)2)6-7-14(3)12(13)15/h4-5,8H,6-7H2,1-3H3,(H2,13,15)
InChIKeyNVOOAYDBARGXCU-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-ethylphenyl)ethyl]-1-methylurea
CID 115168590
2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide
CID 115187078
1-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 115168709
1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea
CID 115168613
1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea
CID 115168718
1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 115168591
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 115168599
1-methyl-1-[2-(2-methylphenyl)ethyl]urea
CID 115168706
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]-1-methylurea
CID 115168646
1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea
CID 115168679
3-[2-(3,4-dimethylphenyl)ethyl-methylamino]butanoic acid
CID 117042251
3-[2-(3,4-dimethylphenyl)ethyl-methylamino]-2,2-dimethylpropanoic acid
CID 115136669

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea (CID 115168593) is 1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea is Cc1ccc(CCN(C)C(N)=O)cc1C.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea?
The InChIKey is NVOOAYDBARGXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-4-5-11(8-10(9)2)6-7-14(3)12(13)15/h4-5,8H,6-7H2,1-3H3,(H2,13,15).
What are the key properties of 1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea?
1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea has a molecular weight of 206.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 115168593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).