[3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea

C16H19N3O2 — CID 43744448

IUPAC[3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea
SMILESCc1ccc(C(C)Nc2cccc(NC(N)=O)c2)c(O)c1
InChIInChI=1S/C16H19N3O2/c1-10-6-7-14(15(20)8-10)11(2)18-12-4-3-5-13(9-12)19-16(17)21/h3-9,11,18,20H,1-2H3,(H3,17,19,21)
InChIKeyKMUZMLYWBCKOEL-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.36
Rot. Bonds4

About [3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea

[3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea (PubChem CID 43744448) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea.

Molecular Properties

Compound Name[3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea
PubChem CID43744448
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea
SMILESCc1ccc(C(C)Nc2cccc(NC(N)=O)c2)c(O)c1
InChIInChI=1S/C16H19N3O2/c1-10-6-7-14(15(20)8-10)11(2)18-12-4-3-5-13(9-12)19-16(17)21/h3-9,11,18,20H,1-2H3,(H3,17,19,21)
InChIKeyKMUZMLYWBCKOEL-UHFFFAOYSA-N
XLogP3.36
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-(2,4-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43193742
[3-[1-(4-chlorophenyl)ethylamino]phenyl]urea
CID 43744548
2-[1-(3-bromo-4-methylanilino)ethyl]-5-methylphenol
CID 63332922
[3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea
CID 43744617
3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide
CID 43767621
methyl 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanoate
CID 60780541
N-[3-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
CID 43193741
[3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea
CID 43790841
[3-(1-cyclopropylethylamino)phenyl]urea
CID 43744613
2-[1-(4-bromo-3-fluoroanilino)ethyl]-5-methylphenol
CID 65435702
[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea
CID 115928663
3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide
CID 43553192

Frequently Asked Questions

What is the IUPAC name of [3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea?
The IUPAC name of [3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea (CID 43744448) is [3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea.
What is the SMILES notation for [3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea?
The canonical SMILES for [3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea is Cc1ccc(C(C)Nc2cccc(NC(N)=O)c2)c(O)c1.
What is the InChIKey of [3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea?
The InChIKey is KMUZMLYWBCKOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-6-7-14(15(20)8-10)11(2)18-12-4-3-5-13(9-12)19-16(17)21/h3-9,11,18,20H,1-2H3,(H3,17,19,21).
What are the key properties of [3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea?
[3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea has a molecular weight of 285.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea is sourced from PubChem (CID 43744448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).