1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea

C16H19N3O — CID 43457897

IUPAC1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N(C)Cc2cccc(N)c2)cc1
InChIInChI=1S/C16H19N3O/c1-12-6-8-15(9-7-12)18-16(20)19(2)11-13-4-3-5-14(17)10-13/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyAXDVTJYYUBJBRR-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.24
Rot. Bonds3

About 1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea

1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea (PubChem CID 43457897) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea
PubChem CID43457897
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N(C)Cc2cccc(N)c2)cc1
InChIInChI=1S/C16H19N3O/c1-12-6-8-15(9-7-12)18-16(20)19(2)11-13-4-3-5-14(17)10-13/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyAXDVTJYYUBJBRR-UHFFFAOYSA-N
XLogP3.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-methylphenyl)urea
CID 43437749
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82826934
1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea
CID 60921949
N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide
CID 51244601
1-[(3-fluorophenyl)methyl]-1-methyl-3-(4-methylsulfanylphenyl)urea
CID 86988074
N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860367
3-(3-aminophenyl)-1-[(5-bromothiophen-3-yl)methyl]-1-methylurea
CID 54986825
3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
CID 61411496
3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 61411542
3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 43526496

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea (CID 43457897) is 1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)N(C)Cc2cccc(N)c2)cc1.
What is the InChIKey of 1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea?
The InChIKey is AXDVTJYYUBJBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-6-8-15(9-7-12)18-16(20)19(2)11-13-4-3-5-14(17)10-13/h3-10H,11,17H2,1-2H3,(H,18,20).
What are the key properties of 1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea?
1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea has a molecular weight of 269.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea is sourced from PubChem (CID 43457897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).