1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea

C16H19N3O2 — CID 108897439

IUPAC1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)Nc1cc(C)ccc1N
InChIInChI=1S/C16H19N3O2/c1-11-7-8-13(17)14(9-11)19-16(20)18-10-12-5-3-4-6-15(12)21-2/h3-9H,10,17H2,1-2H3,(H2,18,19,20)
InChIKeyAZGPBLTZEGFAGT-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.91
Rot. Bonds4

About 1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea

1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 108897439) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
PubChem CID108897439
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)Nc1cc(C)ccc1N
InChIInChI=1S/C16H19N3O2/c1-11-7-8-13(17)14(9-11)19-16(20)18-10-12-5-3-4-6-15(12)21-2/h3-9H,10,17H2,1-2H3,(H2,18,19,20)
InChIKeyAZGPBLTZEGFAGT-UHFFFAOYSA-N
XLogP2.91
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methylphenyl)-2-(2-methoxyphenyl)acetamide
CID 115912170
1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea
CID 108866574
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
N-(2-amino-5-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 63257795
3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022003
N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108531639
1-(2-amino-5-methylphenyl)-3-propylurea
CID 112557559
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892166

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea (CID 108897439) is 1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)Nc1cc(C)ccc1N.
What is the InChIKey of 1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is AZGPBLTZEGFAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-7-8-13(17)14(9-11)19-16(20)18-10-12-5-3-4-6-15(12)21-2/h3-9H,10,17H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea?
1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 285.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108897439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).