4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline

C16H19NO — CID 116962482

IUPAC4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline
SMILESCNc1ccc(-c2cc(C)cc(C)c2OC)cc1
InChIInChI=1S/C16H19NO/c1-11-9-12(2)16(18-4)15(10-11)13-5-7-14(17-3)8-6-13/h5-10,17H,1-4H3
InChIKeyANWCJEKQQWPQCE-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.02
Rot. Bonds3

About 4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline

4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline (PubChem CID 116962482) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline.

Molecular Properties

Compound Name4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline
PubChem CID116962482
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline
SMILESCNc1ccc(-c2cc(C)cc(C)c2OC)cc1
InChIInChI=1S/C16H19NO/c1-11-9-12(2)16(18-4)15(10-11)13-5-7-14(17-3)8-6-13/h5-10,17H,1-4H3
InChIKeyANWCJEKQQWPQCE-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline?
The IUPAC name of 4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline (CID 116962482) is 4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline.
What is the SMILES notation for 4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline?
The canonical SMILES for 4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline is CNc1ccc(-c2cc(C)cc(C)c2OC)cc1.
What is the InChIKey of 4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline?
The InChIKey is ANWCJEKQQWPQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11-9-12(2)16(18-4)15(10-11)13-5-7-14(17-3)8-6-13/h5-10,17H,1-4H3.
What are the key properties of 4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline?
4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline has a molecular weight of 241.33 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline is sourced from PubChem (CID 116962482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).