3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea

C16H19N3O — CID 62003994

IUPAC3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea
SMILESCc1cc(C)cc(N(C)C(=O)Nc2ccc(N)cc2)c1
InChIInChI=1S/C16H19N3O/c1-11-8-12(2)10-15(9-11)19(3)16(20)18-14-6-4-13(17)5-7-14/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyQFOQLRDSGSNPEL-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.55
Rot. Bonds2

About 3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea

3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea (PubChem CID 62003994) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea
PubChem CID62003994
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea
SMILESCc1cc(C)cc(N(C)C(=O)Nc2ccc(N)cc2)c1
InChIInChI=1S/C16H19N3O/c1-11-8-12(2)10-15(9-11)19(3)16(20)18-14-6-4-13(17)5-7-14/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyQFOQLRDSGSNPEL-UHFFFAOYSA-N
XLogP3.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-1-methyl-1-phenylurea
CID 43468906
1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea
CID 28894609
3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea
CID 43469006
N-(3,5-dimethylphenyl)-4-hydrazinyl-N-methylbenzamide
CID 62247328
N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide
CID 108894693
3-(4-aminophenyl)-1,1-dipropylurea
CID 43468918
N-(4-aminophenyl)-3-fluoro-5-methylbenzamide
CID 113265229
3-(4-aminophenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 60892761
1-(4-aminophenyl)-3-(2,4-difluorophenyl)-1-methylurea
CID 43288470
3-(4-aminophenyl)-1-cycloheptyl-1-methylurea
CID 43614356
6-amino-N-(3,5-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 62240518
3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
CID 43246035

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea?
The IUPAC name of 3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea (CID 62003994) is 3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea.
What is the SMILES notation for 3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea?
The canonical SMILES for 3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea is Cc1cc(C)cc(N(C)C(=O)Nc2ccc(N)cc2)c1.
What is the InChIKey of 3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea?
The InChIKey is QFOQLRDSGSNPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-8-12(2)10-15(9-11)19(3)16(20)18-14-6-4-13(17)5-7-14/h4-10H,17H2,1-3H3,(H,18,20).
What are the key properties of 3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea?
3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea has a molecular weight of 269.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea is sourced from PubChem (CID 62003994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).