(3-amino-2-methylphenyl)urea

C8H11N3O — CID 16770559

IUPAC(3-amino-2-methylphenyl)urea
SMILESCc1c(N)cccc1NC(N)=O
InChIInChI=1S/C8H11N3O/c1-5-6(9)3-2-4-7(5)11-8(10)12/h2-4H,9H2,1H3,(H3,10,11,12)
InChIKeySBHKSGRHPJVTIZ-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.07
Rot. Bonds1

About (3-amino-2-methylphenyl)urea

(3-amino-2-methylphenyl)urea (PubChem CID 16770559) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is (3-amino-2-methylphenyl)urea.

Molecular Properties

Compound Name(3-amino-2-methylphenyl)urea
PubChem CID16770559
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name(3-amino-2-methylphenyl)urea
SMILESCc1c(N)cccc1NC(N)=O
InChIInChI=1S/C8H11N3O/c1-5-6(9)3-2-4-7(5)11-8(10)12/h2-4H,9H2,1H3,(H3,10,11,12)
InChIKeySBHKSGRHPJVTIZ-UHFFFAOYSA-N
XLogP1.07
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.07
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

(2,3-diaminophenyl)urea
CID 18704055
N-(3-amino-2-methylphenyl)-3-methylbut-2-enamide
CID 83505608
1-(3-amino-2-methylphenyl)-3-ethylurea
CID 43164799
N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide
CID 43247265
N-(3-amino-2-methylphenyl)-4-phenylbutanamide
CID 28939602
N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206392
N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151872
N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide
CID 102921234
N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
CID 16792974
N-(3-amino-2-methylphenyl)furan-2-carboxamide
CID 16775861
(2-methyl-3-nitrophenyl)urea
CID 22416531
(2-methylphenyl)urea;phosphane
CID 175888509

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methylphenyl)urea?
The IUPAC name of (3-amino-2-methylphenyl)urea (CID 16770559) is (3-amino-2-methylphenyl)urea.
What is the SMILES notation for (3-amino-2-methylphenyl)urea?
The canonical SMILES for (3-amino-2-methylphenyl)urea is Cc1c(N)cccc1NC(N)=O.
What is the InChIKey of (3-amino-2-methylphenyl)urea?
The InChIKey is SBHKSGRHPJVTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5-6(9)3-2-4-7(5)11-8(10)12/h2-4H,9H2,1H3,(H3,10,11,12).
What are the key properties of (3-amino-2-methylphenyl)urea?
(3-amino-2-methylphenyl)urea has a molecular weight of 165.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methylphenyl)urea is sourced from PubChem (CID 16770559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).