1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea

C13H20FN3O — CID 79652509

IUPAC1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea
SMILESCN(CC(C)(C)CN)C(=O)Nc1ccccc1F
InChIInChI=1S/C13H20FN3O/c1-13(2,8-15)9-17(3)12(18)16-11-7-5-4-6-10(11)14/h4-7H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyJHMNKZQPYLVWFI-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.27
Rot. Bonds4

About 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea

1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea (PubChem CID 79652509) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea
PubChem CID79652509
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea
SMILESCN(CC(C)(C)CN)C(=O)Nc1ccccc1F
InChIInChI=1S/C13H20FN3O/c1-13(2,8-15)9-17(3)12(18)16-11-7-5-4-6-10(11)14/h4-7H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyJHMNKZQPYLVWFI-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea
CID 79667605
N-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 119656595
3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea
CID 62334084
1-(3-amino-2,2-dimethylpropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 79647075
1-(2-amino-2-hydroxyiminoethyl)-3-(2-fluorophenyl)-1-methylurea
CID 76929064
1-(4-amino-2,2-dimethylbutyl)-3-(2-fluorophenyl)urea
CID 106141258
1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea
CID 24664813
1-(3-amino-2,2-dimethylpropyl)-3-(4-cyanophenyl)-1-methylurea
CID 79652704
N-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide
CID 119652343
2-(1-amino-2-methylpropan-2-yl)oxy-N-(2-fluorophenyl)acetamide
CID 65053278
1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea
CID 4803240
1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea
CID 61014414

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea?
The IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea (CID 79652509) is 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea.
What is the SMILES notation for 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea?
The canonical SMILES for 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea is CN(CC(C)(C)CN)C(=O)Nc1ccccc1F.
What is the InChIKey of 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea?
The InChIKey is JHMNKZQPYLVWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-13(2,8-15)9-17(3)12(18)16-11-7-5-4-6-10(11)14/h4-7H,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea?
1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea has a molecular weight of 253.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea is sourced from PubChem (CID 79652509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).