3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea

C15H17N3O2 — CID 62003425

IUPAC3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea
SMILESCOc1ccccc1N(C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C15H17N3O2/c1-18(13-8-3-4-9-14(13)20-2)15(19)17-12-7-5-6-11(16)10-12/h3-10H,16H2,1-2H3,(H,17,19)
InChIKeyCDWMZMNRGJEUJZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.95
Rot. Bonds3

About 3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea

3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea (PubChem CID 62003425) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea
PubChem CID62003425
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea
SMILESCOc1ccccc1N(C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C15H17N3O2/c1-18(13-8-3-4-9-14(13)20-2)15(19)17-12-7-5-6-11(16)10-12/h3-10H,16H2,1-2H3,(H,17,19)
InChIKeyCDWMZMNRGJEUJZ-UHFFFAOYSA-N
XLogP2.95
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 63701302
1-(2-methoxyphenyl)-1-methyl-3-phenylthiourea
CID 115587806
N-(3-aminophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726483
2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63114798
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
(4-methoxyphenyl) N-(3-aminophenyl)carbamate
CID 12941472
2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide
CID 91393388
N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide
CID 71483836
1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea
CID 107465973
3-(3-aminophenyl)-1-methyl-1-(2-methylsulfonylethyl)urea
CID 79863865

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea?
The IUPAC name of 3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea (CID 62003425) is 3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea?
The canonical SMILES for 3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea is COc1ccccc1N(C)C(=O)Nc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea?
The InChIKey is CDWMZMNRGJEUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18(13-8-3-4-9-14(13)20-2)15(19)17-12-7-5-6-11(16)10-12/h3-10H,16H2,1-2H3,(H,17,19).
What are the key properties of 3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea?
3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea has a molecular weight of 271.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 62003425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).