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

C10H15N3O — CID 61411496

IUPAC3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CN(C)C(=O)NN)c1
InChIInChI=1S/C10H15N3O/c1-8-4-3-5-9(6-8)7-13(2)10(14)12-11/h3-6H,7,11H2,1-2H3,(H,12,14)
InChIKeyYATVBSMLXLDLPQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.01
Rot. Bonds2

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

3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea (PubChem CID 61411496) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
PubChem CID61411496
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CN(C)C(=O)NN)c1
InChIInChI=1S/C10H15N3O/c1-8-4-3-5-9(6-8)7-13(2)10(14)12-11/h3-6H,7,11H2,1-2H3,(H,12,14)
InChIKeyYATVBSMLXLDLPQ-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-benzyl-1-methylurea
CID 43163959
3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62230250
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
3-methyl-2-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid
CID 61411634
2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid
CID 62671339
2,2-dimethyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid
CID 115428500
methyl 3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoate
CID 115174419
(E)-4-[methyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875189
1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 44827695
benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 130156986
3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 115180689

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea?
The IUPAC name of 3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea (CID 61411496) is 3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea is Cc1cccc(CN(C)C(=O)NN)c1.
What is the InChIKey of 3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea?
The InChIKey is YATVBSMLXLDLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8-4-3-5-9(6-8)7-13(2)10(14)12-11/h3-6H,7,11H2,1-2H3,(H,12,14).
What are the key properties of 3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea?
3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea has a molecular weight of 193.25 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 61411496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).