4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline

C16H19NO — CID 103434076

IUPAC4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline
SMILESCOc1c(-c2ccc(N)cc2C)ccc(C)c1C
InChIInChI=1S/C16H19NO/c1-10-5-7-15(16(18-4)12(10)3)14-8-6-13(17)9-11(14)2/h5-9H,17H2,1-4H3
InChIKeyHOMFCZBZWYRCNA-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.87
Rot. Bonds2

About 4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline

4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline (PubChem CID 103434076) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline.

Molecular Properties

Compound Name4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline
PubChem CID103434076
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline
SMILESCOc1c(-c2ccc(N)cc2C)ccc(C)c1C
InChIInChI=1S/C16H19NO/c1-10-5-7-15(16(18-4)12(10)3)14-8-6-13(17)9-11(14)2/h5-9H,17H2,1-4H3
InChIKeyHOMFCZBZWYRCNA-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline?
The IUPAC name of 4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline (CID 103434076) is 4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline.
What is the SMILES notation for 4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline?
The canonical SMILES for 4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline is COc1c(-c2ccc(N)cc2C)ccc(C)c1C.
What is the InChIKey of 4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline?
The InChIKey is HOMFCZBZWYRCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-10-5-7-15(16(18-4)12(10)3)14-8-6-13(17)9-11(14)2/h5-9H,17H2,1-4H3.
What are the key properties of 4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline?
4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline has a molecular weight of 241.33 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline is sourced from PubChem (CID 103434076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).