4-methoxy-3-methyl-N-prop-2-enylaniline

C11H15NO — CID 62140319

IUPAC4-methoxy-3-methyl-N-prop-2-enylaniline
SMILESC=CCNc1ccc(OC)c(C)c1
InChIInChI=1S/C11H15NO/c1-4-7-12-10-5-6-11(13-3)9(2)8-10/h4-6,8,12H,1,7H2,2-3H3
InChIKeyVDQXABDUJFXVHI-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.60
Rot. Bonds4

About 4-methoxy-3-methyl-N-prop-2-enylaniline

4-methoxy-3-methyl-N-prop-2-enylaniline (PubChem CID 62140319) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-prop-2-enylaniline.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-prop-2-enylaniline
PubChem CID62140319
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-methoxy-3-methyl-N-prop-2-enylaniline
SMILESC=CCNc1ccc(OC)c(C)c1
InChIInChI=1S/C11H15NO/c1-4-7-12-10-5-6-11(13-3)9(2)8-10/h4-6,8,12H,1,7H2,2-3H3
InChIKeyVDQXABDUJFXVHI-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methoxy-3-methyl-N-prop-2-enylaniline 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

3-fluoro-4-methoxy-N-prop-2-enylaniline
CID 62141069
N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79280189
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858
N-[(E)-3-chloro-2-methylprop-2-enyl]-4-methoxy-3-methylaniline
CID 106437613
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
CID 112980172
ethane;4-methoxy-N,3-dimethylaniline
CID 142876075
1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106564103
N'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide
CID 77030951
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-prop-2-enylaniline?
The IUPAC name of 4-methoxy-3-methyl-N-prop-2-enylaniline (CID 62140319) is 4-methoxy-3-methyl-N-prop-2-enylaniline.
What is the SMILES notation for 4-methoxy-3-methyl-N-prop-2-enylaniline?
The canonical SMILES for 4-methoxy-3-methyl-N-prop-2-enylaniline is C=CCNc1ccc(OC)c(C)c1.
What is the InChIKey of 4-methoxy-3-methyl-N-prop-2-enylaniline?
The InChIKey is VDQXABDUJFXVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-7-12-10-5-6-11(13-3)9(2)8-10/h4-6,8,12H,1,7H2,2-3H3.
What are the key properties of 4-methoxy-3-methyl-N-prop-2-enylaniline?
4-methoxy-3-methyl-N-prop-2-enylaniline has a molecular weight of 177.25 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-prop-2-enylaniline is sourced from PubChem (CID 62140319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).