2-[[3-(cyclohexylmethoxy)phenoxy]methyl]-N,3-dimethylaniline

C22H29NO2 — CID 144834348

IUPAC2-[[3-(cyclohexylmethoxy)phenoxy]methyl]-N,3-dimethylaniline
SMILESCNc1cccc(C)c1COc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C22H29NO2/c1-17-8-6-13-22(23-2)21(17)16-25-20-12-7-11-19(14-20)24-15-18-9-4-3-5-10-18/h6-8,11-14,18,23H,3-5,9-10,15-16H2,1-2H3
InChIKeyYLXKXYVVSWRNCN-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.57
Rot. Bonds7

About 2-[[3-(cyclohexylmethoxy)phenoxy]methyl]-N,3-dimethylaniline

2-[[3-(cyclohexylmethoxy)phenoxy]methyl]-N,3-dimethylaniline (PubChem CID 144834348) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[[3-(cyclohexylmethoxy)phenoxy]methyl]-N,3-dimethylaniline.

Molecular Properties

Compound Name2-[[3-(cyclohexylmethoxy)phenoxy]methyl]-N,3-dimethylaniline
PubChem CID144834348
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-[[3-(cyclohexylmethoxy)phenoxy]methyl]-N,3-dimethylaniline
SMILESCNc1cccc(C)c1COc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C22H29NO2/c1-17-8-6-13-22(23-2)21(17)16-25-20-12-7-11-19(14-20)24-15-18-9-4-3-5-10-18/h6-8,11-14,18,23H,3-5,9-10,15-16H2,1-2H3
InChIKeyYLXKXYVVSWRNCN-UHFFFAOYSA-N
XLogP5.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclohexylmethoxy)phenoxy]methyl]-N,3-dimethylaniline?
The IUPAC name of 2-[[3-(cyclohexylmethoxy)phenoxy]methyl]-N,3-dimethylaniline (CID 144834348) is 2-[[3-(cyclohexylmethoxy)phenoxy]methyl]-N,3-dimethylaniline.
What is the SMILES notation for 2-[[3-(cyclohexylmethoxy)phenoxy]methyl]-N,3-dimethylaniline?
The canonical SMILES for 2-[[3-(cyclohexylmethoxy)phenoxy]methyl]-N,3-dimethylaniline is CNc1cccc(C)c1COc1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 2-[[3-(cyclohexylmethoxy)phenoxy]methyl]-N,3-dimethylaniline?
The InChIKey is YLXKXYVVSWRNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-17-8-6-13-22(23-2)21(17)16-25-20-12-7-11-19(14-20)24-15-18-9-4-3-5-10-18/h6-8,11-14,18,23H,3-5,9-10,15-16H2,1-2H3.
What are the key properties of 2-[[3-(cyclohexylmethoxy)phenoxy]methyl]-N,3-dimethylaniline?
2-[[3-(cyclohexylmethoxy)phenoxy]methyl]-N,3-dimethylaniline has a molecular weight of 339.48 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclohexylmethoxy)phenoxy]methyl]-N,3-dimethylaniline is sourced from PubChem (CID 144834348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).