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

C16H19N3O2 — CID 62103048

IUPAC1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cc(CN)ccc1C
InChIInChI=1S/C16H19N3O2/c1-11-7-8-12(10-17)9-14(11)19-16(20)18-13-5-3-4-6-15(13)21-2/h3-9H,10,17H2,1-2H3,(H2,18,19,20)
InChIKeyTZNPTUSMCGXKNK-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.11
Rot. Bonds4

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

1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea (PubChem CID 62103048) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea
PubChem CID62103048
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cc(CN)ccc1C
InChIInChI=1S/C16H19N3O2/c1-11-7-8-12(10-17)9-14(11)19-16(20)18-13-5-3-4-6-15(13)21-2/h3-9H,10,17H2,1-2H3,(H2,18,19,20)
InChIKeyTZNPTUSMCGXKNK-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea 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-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea
CID 141036377
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide
CID 62505777
1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea
CID 62104342
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide
CID 103017435
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea
CID 108866574
1-[4-(aminomethyl)-2-methoxyphenyl]-3-tert-butylurea
CID 113460330
1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 104848502
1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea
CID 43133007
2-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea (CID 62103048) is 1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1cc(CN)ccc1C.
What is the InChIKey of 1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea?
The InChIKey is TZNPTUSMCGXKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-7-8-12(10-17)9-14(11)19-16(20)18-13-5-3-4-6-15(13)21-2/h3-9H,10,17H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea?
1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea has a molecular weight of 285.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 62103048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).