[(4-methylphenyl)methylamino]urea;hydrochloride

C9H14ClN3O — CID 68654068

IUPAC[(4-methylphenyl)methylamino]urea;hydrochloride
SMILESCc1ccc(CNNC(N)=O)cc1.Cl
InChIInChI=1S/C9H13N3O.ClH/c1-7-2-4-8(5-3-7)6-11-12-9(10)13;/h2-5,11H,6H2,1H3,(H3,10,12,13);1H
InChIKeyPCCBWOJFCREXIP-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.09
Rot. Bonds3

About [(4-methylphenyl)methylamino]urea;hydrochloride

[(4-methylphenyl)methylamino]urea;hydrochloride (PubChem CID 68654068) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is [(4-methylphenyl)methylamino]urea;hydrochloride.

Molecular Properties

Compound Name[(4-methylphenyl)methylamino]urea;hydrochloride
PubChem CID68654068
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name[(4-methylphenyl)methylamino]urea;hydrochloride
SMILESCc1ccc(CNNC(N)=O)cc1.Cl
InChIInChI=1S/C9H13N3O.ClH/c1-7-2-4-8(5-3-7)6-11-12-9(10)13;/h2-5,11H,6H2,1H3,(H3,10,12,13);1H
InChIKeyPCCBWOJFCREXIP-UHFFFAOYSA-N
XLogP1.09
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(4-methylphenyl)methylamino]urea;hydrochloride 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

[(4-bromophenyl)methylamino]urea
CID 170288364
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
(4-methylphenyl)methylthiourea;hydrochloride
CID 22226303
methyl 2-[(4-methylphenyl)methylamino]propanoate
CID 19362169
ethane;3-(4-methylphenyl)propanamide
CID 142510251
5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide
CID 33239098
(Z)-2-amino-N-[(4-methylphenyl)methyl]-3-sulfanylbut-2-enamide
CID 155717355
4-methylphenol;methylurea
CID 70615521
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944

Frequently Asked Questions

What is the IUPAC name of [(4-methylphenyl)methylamino]urea;hydrochloride?
The IUPAC name of [(4-methylphenyl)methylamino]urea;hydrochloride (CID 68654068) is [(4-methylphenyl)methylamino]urea;hydrochloride.
What is the SMILES notation for [(4-methylphenyl)methylamino]urea;hydrochloride?
The canonical SMILES for [(4-methylphenyl)methylamino]urea;hydrochloride is Cc1ccc(CNNC(N)=O)cc1.Cl.
What is the InChIKey of [(4-methylphenyl)methylamino]urea;hydrochloride?
The InChIKey is PCCBWOJFCREXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.ClH/c1-7-2-4-8(5-3-7)6-11-12-9(10)13;/h2-5,11H,6H2,1H3,(H3,10,12,13);1H.
What are the key properties of [(4-methylphenyl)methylamino]urea;hydrochloride?
[(4-methylphenyl)methylamino]urea;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylphenyl)methylamino]urea;hydrochloride is sourced from PubChem (CID 68654068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).