[(2-methylphenyl)methylamino]urea

C9H13N3O — CID 70588726

IUPAC[(2-methylphenyl)methylamino]urea
SMILESCc1ccccc1CNNC(N)=O
InChIInChI=1S/C9H13N3O/c1-7-4-2-3-5-8(7)6-11-12-9(10)13/h2-5,11H,6H2,1H3,(H3,10,12,13)
InChIKeyKRIVYNVBQQXGSN-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.67
Rot. Bonds3

About [(2-methylphenyl)methylamino]urea

[(2-methylphenyl)methylamino]urea (PubChem CID 70588726) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is [(2-methylphenyl)methylamino]urea.

Molecular Properties

Compound Name[(2-methylphenyl)methylamino]urea
PubChem CID70588726
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name[(2-methylphenyl)methylamino]urea
SMILESCc1ccccc1CNNC(N)=O
InChIInChI=1S/C9H13N3O/c1-7-4-2-3-5-8(7)6-11-12-9(10)13/h2-5,11H,6H2,1H3,(H3,10,12,13)
InChIKeyKRIVYNVBQQXGSN-UHFFFAOYSA-N
XLogP0.67
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylphenyl)methylamino]oxyacetamide
CID 112672645
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
(2-methylphenyl)methylthiourea
CID 18399980
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)acetyl]amino]phenyl]acetamide
CID 26164464
[(4-methylphenyl)methylamino]urea;hydrochloride
CID 68654068
(2-methylphenyl)methylhydrazine;hydrochloride
CID 42940672
6-hydrazinyl-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 62237451
6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
CID 54944511
(2S)-2-amino-N'-[(2-methylphenyl)methyl]butanediamide
CID 58987437
methanesulfonic acid;1-(2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 173322724
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
2-(2-methylphenyl)acetic acid
CID 67440217

Frequently Asked Questions

What is the IUPAC name of [(2-methylphenyl)methylamino]urea?
The IUPAC name of [(2-methylphenyl)methylamino]urea (CID 70588726) is [(2-methylphenyl)methylamino]urea.
What is the SMILES notation for [(2-methylphenyl)methylamino]urea?
The canonical SMILES for [(2-methylphenyl)methylamino]urea is Cc1ccccc1CNNC(N)=O.
What is the InChIKey of [(2-methylphenyl)methylamino]urea?
The InChIKey is KRIVYNVBQQXGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-4-2-3-5-8(7)6-11-12-9(10)13/h2-5,11H,6H2,1H3,(H3,10,12,13).
What are the key properties of [(2-methylphenyl)methylamino]urea?
[(2-methylphenyl)methylamino]urea has a molecular weight of 179.22 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylphenyl)methylamino]urea is sourced from PubChem (CID 70588726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).