1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea

C12H19N3O — CID 117316808

IUPAC1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea
SMILESCN(C(N)=O)c1cccc(CC(C)(C)N)c1
InChIInChI=1S/C12H19N3O/c1-12(2,14)8-9-5-4-6-10(7-9)15(3)11(13)16/h4-7H,8,14H2,1-3H3,(H2,13,16)
InChIKeyOKRSPAKOXXGUFR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.48
Rot. Bonds3

About 1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea

1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea (PubChem CID 117316808) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea
PubChem CID117316808
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea
SMILESCN(C(N)=O)c1cccc(CC(C)(C)N)c1
InChIInChI=1S/C12H19N3O/c1-12(2,14)8-9-5-4-6-10(7-9)15(3)11(13)16/h4-7H,8,14H2,1-3H3,(H2,13,16)
InChIKeyOKRSPAKOXXGUFR-UHFFFAOYSA-N
XLogP1.48
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[carbamoyl(methyl)amino]phenyl]-2,2-dimethylpropanoic acid
CID 117379207
1-[3-(2-hydroxypropyl)phenyl]-1-methylurea
CID 117297751
N-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide
CID 59836578
1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol
CID 117111965
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
N-[3-(2,2-dimethylpropyl)phenyl]acetohydrazide
CID 134419508
1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea
CID 117371572
[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
tert-butyl N-(3-ethylphenyl)-N-methylcarbamate
CID 167076497
2-methyl-1-(3-methylsulfonylphenyl)propan-2-amine
CID 82618444
ethane;N-(3-ethylphenyl)-N-methylbutanamide
CID 143587868
1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine
CID 117111966

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea?
The IUPAC name of 1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea (CID 117316808) is 1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea.
What is the SMILES notation for 1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea?
The canonical SMILES for 1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea is CN(C(N)=O)c1cccc(CC(C)(C)N)c1.
What is the InChIKey of 1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea?
The InChIKey is OKRSPAKOXXGUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,14)8-9-5-4-6-10(7-9)15(3)11(13)16/h4-7H,8,14H2,1-3H3,(H2,13,16).
What are the key properties of 1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea?
1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea has a molecular weight of 221.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea is sourced from PubChem (CID 117316808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).