1-(2-amino-5-methylphenyl)-3-propan-2-ylurea

C11H17N3O — CID 112557564

IUPAC1-(2-amino-5-methylphenyl)-3-propan-2-ylurea
SMILESCc1ccc(N)c(NC(=O)NC(C)C)c1
InChIInChI=1S/C11H17N3O/c1-7(2)13-11(15)14-10-6-8(3)4-5-9(10)12/h4-7H,12H2,1-3H3,(H2,13,14,15)
InChIKeyQARIDJOZZKHTBW-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.11
Rot. Bonds2

About 1-(2-amino-5-methylphenyl)-3-propan-2-ylurea

1-(2-amino-5-methylphenyl)-3-propan-2-ylurea (PubChem CID 112557564) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(2-amino-5-methylphenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-amino-5-methylphenyl)-3-propan-2-ylurea
PubChem CID112557564
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(2-amino-5-methylphenyl)-3-propan-2-ylurea
SMILESCc1ccc(N)c(NC(=O)NC(C)C)c1
InChIInChI=1S/C11H17N3O/c1-7(2)13-11(15)14-10-6-8(3)4-5-9(10)12/h4-7H,12H2,1-3H3,(H2,13,14,15)
InChIKeyQARIDJOZZKHTBW-UHFFFAOYSA-N
XLogP2.11
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-amino-5-methylphenyl)-3-propan-2-ylurea 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

1-(2-bromo-5-methylphenyl)-3-propan-2-ylurea
CID 82706454
1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea
CID 108897070
1-(4-amino-2,5-dimethylphenyl)-3-propan-2-ylurea
CID 103144772
1-(2-amino-5-methylphenyl)-3-propylurea
CID 112557559
1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea
CID 108866574
2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid
CID 127568642
1-(2-amino-5-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892628
1-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-propan-2-ylurea
CID 82766205
N-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide
CID 112557540
1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875405
1-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-propan-2-ylurea
CID 43551276
N-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 114032448

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylphenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-amino-5-methylphenyl)-3-propan-2-ylurea (CID 112557564) is 1-(2-amino-5-methylphenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-amino-5-methylphenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-amino-5-methylphenyl)-3-propan-2-ylurea is Cc1ccc(N)c(NC(=O)NC(C)C)c1.
What is the InChIKey of 1-(2-amino-5-methylphenyl)-3-propan-2-ylurea?
The InChIKey is QARIDJOZZKHTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)13-11(15)14-10-6-8(3)4-5-9(10)12/h4-7H,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(2-amino-5-methylphenyl)-3-propan-2-ylurea?
1-(2-amino-5-methylphenyl)-3-propan-2-ylurea has a molecular weight of 207.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylphenyl)-3-propan-2-ylurea is sourced from PubChem (CID 112557564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).