3-[(3-aminophenyl)methyl]-1,1-dimethylurea

C10H15N3O — CID 79153723

IUPAC3-[(3-aminophenyl)methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCc1cccc(N)c1
InChIInChI=1S/C10H15N3O/c1-13(2)10(14)12-7-8-4-3-5-9(11)6-8/h3-6H,7,11H2,1-2H3,(H,12,14)
InChIKeyYGKRDYBDVSNJKT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.04
Rot. Bonds2

About 3-[(3-aminophenyl)methyl]-1,1-dimethylurea

3-[(3-aminophenyl)methyl]-1,1-dimethylurea (PubChem CID 79153723) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[(3-aminophenyl)methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(3-aminophenyl)methyl]-1,1-dimethylurea
PubChem CID79153723
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-[(3-aminophenyl)methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCc1cccc(N)c1
InChIInChI=1S/C10H15N3O/c1-13(2)10(14)12-7-8-4-3-5-9(11)6-8/h3-6H,7,11H2,1-2H3,(H,12,14)
InChIKeyYGKRDYBDVSNJKT-UHFFFAOYSA-N
XLogP1.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethyl-3-[[3-[(methylcarbamoylamino)methyl]phenyl]methyl]urea
CID 139316626
N-[(3-aminophenyl)methyl]-2-oxoacetamide
CID 89088482
N-[(3-aminophenyl)methyl]-4-methylpentanamide
CID 62500233
ethyl 3-[(3-aminophenyl)methylamino]-3-oxopropanoate
CID 110480910
N-[(3-aminophenyl)methyl]-2-ethoxyacetamide
CID 62499956
2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107210221
N-[(3-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 103116186
N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62553117
N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112601877
N-[(3-aminophenyl)methyl]-3,5-dichlorobenzamide
CID 62499613
ethyl 2-[(3-aminophenyl)methylamino]acetate
CID 22569795
N-[(3-aminophenyl)methyl]-4-fluorobenzamide
CID 55083550

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminophenyl)methyl]-1,1-dimethylurea?
The IUPAC name of 3-[(3-aminophenyl)methyl]-1,1-dimethylurea (CID 79153723) is 3-[(3-aminophenyl)methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(3-aminophenyl)methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(3-aminophenyl)methyl]-1,1-dimethylurea is CN(C)C(=O)NCc1cccc(N)c1.
What is the InChIKey of 3-[(3-aminophenyl)methyl]-1,1-dimethylurea?
The InChIKey is YGKRDYBDVSNJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13(2)10(14)12-7-8-4-3-5-9(11)6-8/h3-6H,7,11H2,1-2H3,(H,12,14).
What are the key properties of 3-[(3-aminophenyl)methyl]-1,1-dimethylurea?
3-[(3-aminophenyl)methyl]-1,1-dimethylurea has a molecular weight of 193.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminophenyl)methyl]-1,1-dimethylurea is sourced from PubChem (CID 79153723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).