1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea

C15H17N3O2 — CID 107467314

IUPAC1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea
SMILESCOc1cccc(CN)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C15H17N3O2/c1-20-13-9-5-6-11(10-16)14(13)18-15(19)17-12-7-3-2-4-8-12/h2-9H,10,16H2,1H3,(H2,17,18,19)
InChIKeyYLZYKGAAJCRVIG-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.80
Rot. Bonds4

About 1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea

1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea (PubChem CID 107467314) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea
PubChem CID107467314
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea
SMILESCOc1cccc(CN)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C15H17N3O2/c1-20-13-9-5-6-11(10-16)14(13)18-15(19)17-12-7-3-2-4-8-12/h2-9H,10,16H2,1H3,(H2,17,18,19)
InChIKeyYLZYKGAAJCRVIG-UHFFFAOYSA-N
XLogP2.80
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea
CID 107468600
1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 108867766
2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide
CID 39184918
N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide
CID 107467309
1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 108867832
4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
CID 853793
1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea
CID 113041714
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-(4-anilino-2-methoxyphenyl)-3-phenylurea
CID 110179401
1-[1-[(2,3-dimethoxyphenyl)methyl]pyridin-1-ium-3-yl]-3-phenylurea
CID 100963881
CID 168763596
CID 168763596
1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea?
The IUPAC name of 1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea (CID 107467314) is 1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea?
The canonical SMILES for 1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea is COc1cccc(CN)c1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea?
The InChIKey is YLZYKGAAJCRVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-13-9-5-6-11(10-16)14(13)18-15(19)17-12-7-3-2-4-8-12/h2-9H,10,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea?
1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea has a molecular weight of 271.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea is sourced from PubChem (CID 107467314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).