4-(4-methoxyphenyl)-N,N-dimethylaniline

C15H17NO — CID 2758507

IUPAC4-(4-methoxyphenyl)-N,N-dimethylaniline
SMILESCOc1ccc(-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C15H17NO/c1-16(2)14-8-4-12(5-9-14)13-6-10-15(17-3)11-7-13/h4-11H,1-3H3
InChIKeyCAKARNYYOCINPL-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.43
Rot. Bonds3

About 4-(4-methoxyphenyl)-N,N-dimethylaniline

4-(4-methoxyphenyl)-N,N-dimethylaniline (PubChem CID 2758507) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N,N-dimethylaniline
PubChem CID2758507
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-(4-methoxyphenyl)-N,N-dimethylaniline
SMILESCOc1ccc(-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C15H17NO/c1-16(2)14-8-4-12(5-9-14)13-6-10-15(17-3)11-7-13/h4-11H,1-3H3
InChIKeyCAKARNYYOCINPL-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N,N-dimethylaniline?
The IUPAC name of 4-(4-methoxyphenyl)-N,N-dimethylaniline (CID 2758507) is 4-(4-methoxyphenyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(4-methoxyphenyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(4-methoxyphenyl)-N,N-dimethylaniline is COc1ccc(-c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N,N-dimethylaniline?
The InChIKey is CAKARNYYOCINPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-16(2)14-8-4-12(5-9-14)13-6-10-15(17-3)11-7-13/h4-11H,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-N,N-dimethylaniline?
4-(4-methoxyphenyl)-N,N-dimethylaniline has a molecular weight of 227.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N,N-dimethylaniline is sourced from PubChem (CID 2758507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).