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

C15H17N3O — CID 54944882

IUPAC1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)Nc2cccc(N)c2)c1
InChIInChI=1S/C15H17N3O/c1-11-4-2-5-12(8-11)10-17-15(19)18-14-7-3-6-13(16)9-14/h2-9H,10,16H2,1H3,(H2,17,18,19)
InChIKeySAMHXUXZDGLLIW-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.90
Rot. Bonds3

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

1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea (PubChem CID 54944882) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
PubChem CID54944882
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)Nc2cccc(N)c2)c1
InChIInChI=1S/C15H17N3O/c1-11-4-2-5-12(8-11)10-17-15(19)18-14-7-3-6-13(16)9-14/h2-9H,10,16H2,1H3,(H2,17,18,19)
InChIKeySAMHXUXZDGLLIW-UHFFFAOYSA-N
XLogP2.90
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47194938
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438
1-[(3-methylphenyl)methyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871988
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898098
(3-methylphenyl)methylurea
CID 60776531
N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 38294266
(2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide
CID 119287307
1-(3-aminophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 54962762
1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 114956458

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea?
The IUPAC name of 1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea (CID 54944882) is 1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea is Cc1cccc(CNC(=O)Nc2cccc(N)c2)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea?
The InChIKey is SAMHXUXZDGLLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-4-2-5-12(8-11)10-17-15(19)18-14-7-3-6-13(16)9-14/h2-9H,10,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea?
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea has a molecular weight of 255.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 54944882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).