1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea

C16H19N3O — CID 108894103

IUPAC1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C)c(C)c2)c(N)c1
InChIInChI=1S/C16H19N3O/c1-10-4-7-15(14(17)8-10)19-16(20)18-13-6-5-11(2)12(3)9-13/h4-9H,17H2,1-3H3,(H2,18,19,20)
InChIKeyAECMQAYZJQEEGK-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.84
Rot. Bonds2

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

1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea (PubChem CID 108894103) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea
PubChem CID108894103
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C)c(C)c2)c(N)c1
InChIInChI=1S/C16H19N3O/c1-10-4-7-15(14(17)8-10)19-16(20)18-13-6-5-11(2)12(3)9-13/h4-9H,17H2,1-3H3,(H2,18,19,20)
InChIKeyAECMQAYZJQEEGK-UHFFFAOYSA-N
XLogP3.84
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-dichlorophenyl)urea
CID 107652937
1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869562
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 43469069
1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859781
1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108868071
1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea
CID 108897070
N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
CID 108523165
1-(2-amino-4-methylphenyl)-3-cyclopropylurea
CID 62699288
1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859753

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea (CID 108894103) is 1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(C)c(C)c2)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea?
The InChIKey is AECMQAYZJQEEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-4-7-15(14(17)8-10)19-16(20)18-13-6-5-11(2)12(3)9-13/h4-9H,17H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea?
1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea has a molecular weight of 269.35 g/mol, XLogP of 3.84, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 108894103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).