1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea

C16H19N3O2 — CID 61014070

IUPAC1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea
SMILESCOc1ccc(N)cc1CNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H19N3O2/c1-11-3-6-14(7-4-11)19-16(20)18-10-12-9-13(17)5-8-15(12)21-2/h3-9H,10,17H2,1-2H3,(H2,18,19,20)
InChIKeySIKFXSLFWALIET-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.91
Rot. Bonds4

About 1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea

1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea (PubChem CID 61014070) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea
PubChem CID61014070
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea
SMILESCOc1ccc(N)cc1CNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H19N3O2/c1-11-3-6-14(7-4-11)19-16(20)18-10-12-9-13(17)5-8-15(12)21-2/h3-9H,10,17H2,1-2H3,(H2,18,19,20)
InChIKeySIKFXSLFWALIET-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

1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea
CID 61013605
1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea
CID 61013606
1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-methylphenyl)urea
CID 79529401
1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897439
[2-methoxy-5-[(N'-propylcarbamimidoyl)amino]phenyl]methylcarbamic acid
CID 18621915
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
N-[(5-amino-2-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 61014823
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide
CID 79153050
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
N-[(5-amino-2-methoxyphenyl)methyl]-3-propoxypropanamide
CID 62688423

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea (CID 61014070) is 1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea is COc1ccc(N)cc1CNC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea?
The InChIKey is SIKFXSLFWALIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-3-6-14(7-4-11)19-16(20)18-10-12-9-13(17)5-8-15(12)21-2/h3-9H,10,17H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea?
1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)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-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 61014070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).