1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea

C15H17N3O2 — CID 108866574

IUPAC1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cc(C)ccc1N
InChIInChI=1S/C15H17N3O2/c1-10-7-8-11(16)13(9-10)18-15(19)17-12-5-3-4-6-14(12)20-2/h3-9H,16H2,1-2H3,(H2,17,18,19)
InChIKeyPZASDLNHOKNUHO-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.23
Rot. Bonds3

About 1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea

1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea (PubChem CID 108866574) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea
PubChem CID108866574
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cc(C)ccc1N
InChIInChI=1S/C15H17N3O2/c1-10-7-8-11(16)13(9-10)18-15(19)17-12-5-3-4-6-14(12)20-2/h3-9H,16H2,1-2H3,(H2,17,18,19)
InChIKeyPZASDLNHOKNUHO-UHFFFAOYSA-N
XLogP3.23
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897439
N-(2-amino-5-methylphenyl)-2-(2-methoxyphenyl)acetamide
CID 115912170
1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
CID 43602334
1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108868071
1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 108991730
1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea
CID 5078167
1-(2-amino-5-methylphenyl)-3-propan-2-ylurea
CID 112557564
1-(2-amino-4-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 78965201
1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea
CID 108897070
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea
CID 62103048

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea (CID 108866574) is 1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1cc(C)ccc1N.
What is the InChIKey of 1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea?
The InChIKey is PZASDLNHOKNUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-7-8-11(16)13(9-10)18-15(19)17-12-5-3-4-6-14(12)20-2/h3-9H,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea?
1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea has a molecular weight of 271.32 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 108866574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).