1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea

C16H19N3O3 — CID 108868071

IUPAC1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea
SMILESCOc1cccc(OC)c1NC(=O)Nc1ccc(C)cc1N
InChIInChI=1S/C16H19N3O3/c1-10-7-8-12(11(17)9-10)18-16(20)19-15-13(21-2)5-4-6-14(15)22-3/h4-9H,17H2,1-3H3,(H2,18,19,20)
InChIKeyUCVCKKBDHBKEFL-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.24
Rot. Bonds4

About 1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea

1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea (PubChem CID 108868071) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea
PubChem CID108868071
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea
SMILESCOc1cccc(OC)c1NC(=O)Nc1ccc(C)cc1N
InChIInChI=1S/C16H19N3O3/c1-10-7-8-12(11(17)9-10)18-16(20)19-15-13(21-2)5-4-6-14(15)22-3/h4-9H,17H2,1-3H3,(H2,18,19,20)
InChIKeyUCVCKKBDHBKEFL-UHFFFAOYSA-N
XLogP3.24
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869562
1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 108867766
1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea
CID 108866574
1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894103
N-(2-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 28866924
1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 107698021
1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652937
N-(2-amino-4-methylphenyl)-2-methoxy-2-phenylacetamide
CID 62099409
1-(2-amino-4-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 78965201
1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897439
1-(2-amino-4-methylphenyl)-3-cyclopropylurea
CID 62699288
1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 106259841

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea?
The IUPAC name of 1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea (CID 108868071) is 1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea?
The canonical SMILES for 1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea is COc1cccc(OC)c1NC(=O)Nc1ccc(C)cc1N.
What is the InChIKey of 1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea?
The InChIKey is UCVCKKBDHBKEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-7-8-12(11(17)9-10)18-16(20)19-15-13(21-2)5-4-6-14(15)22-3/h4-9H,17H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea?
1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea has a molecular weight of 301.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea is sourced from PubChem (CID 108868071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).