3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea

C11H17N3O — CID 79152927

IUPAC3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C11H17N3O/c1-4-14(3)11(15)13-10-6-5-9(12)7-8(10)2/h5-7H,4,12H2,1-3H3,(H,13,15)
InChIKeySITIWPOXOYHOLX-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.06
Rot. Bonds2

About 3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea

3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea (PubChem CID 79152927) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea
PubChem CID79152927
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C11H17N3O/c1-4-14(3)11(15)13-10-6-5-9(12)7-8(10)2/h5-7H,4,12H2,1-3H3,(H,13,15)
InChIKeySITIWPOXOYHOLX-UHFFFAOYSA-N
XLogP2.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide
CID 43270832
N-(4-amino-2-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]acetamide
CID 43588199
3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea
CID 78917161
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374519
3-[2-amino-4-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 79152321
3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea
CID 79152051
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265362
1-(4-amino-2-methylphenyl)-3-butylurea
CID 28785624
N-(4-amino-2-methylphenyl)-2-(dipropylamino)propanamide
CID 16779619

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea (CID 79152927) is 3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea is CCN(C)C(=O)Nc1ccc(N)cc1C.
What is the InChIKey of 3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea?
The InChIKey is SITIWPOXOYHOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-14(3)11(15)13-10-6-5-9(12)7-8(10)2/h5-7H,4,12H2,1-3H3,(H,13,15).
What are the key properties of 3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea?
3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea has a molecular weight of 207.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea is sourced from PubChem (CID 79152927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).