4-(4-methoxyphenoxy)-N,N,3-trimethylaniline

C16H19NO2 — CID 156755643

IUPAC4-(4-methoxyphenoxy)-N,N,3-trimethylaniline
SMILESCOc1ccc(Oc2ccc(N(C)C)cc2C)cc1
InChIInChI=1S/C16H19NO2/c1-12-11-13(17(2)3)5-10-16(12)19-15-8-6-14(18-4)7-9-15/h5-11H,1-4H3
InChIKeyANLCCNKUGSIKQC-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.86
Rot. Bonds4

About 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline

4-(4-methoxyphenoxy)-N,N,3-trimethylaniline (PubChem CID 156755643) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N,N,3-trimethylaniline
PubChem CID156755643
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-(4-methoxyphenoxy)-N,N,3-trimethylaniline
SMILESCOc1ccc(Oc2ccc(N(C)C)cc2C)cc1
InChIInChI=1S/C16H19NO2/c1-12-11-13(17(2)3)5-10-16(12)19-15-8-6-14(18-4)7-9-15/h5-11H,1-4H3
InChIKeyANLCCNKUGSIKQC-UHFFFAOYSA-N
XLogP3.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline?
The IUPAC name of 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline (CID 156755643) is 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline?
The canonical SMILES for 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline is COc1ccc(Oc2ccc(N(C)C)cc2C)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline?
The InChIKey is ANLCCNKUGSIKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-11-13(17(2)3)5-10-16(12)19-15-8-6-14(18-4)7-9-15/h5-11H,1-4H3.
What are the key properties of 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline?
4-(4-methoxyphenoxy)-N,N,3-trimethylaniline has a molecular weight of 257.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline is sourced from PubChem (CID 156755643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).