2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine

C20H27NO — CID 141121125

IUPAC2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1cc(C)c(-c2ccccc2)c(C)c1
InChIInChI=1S/C20H27NO/c1-5-21(6-2)12-13-22-19-14-16(3)20(17(4)15-19)18-10-8-7-9-11-18/h7-11,14-15H,5-6,12-13H2,1-4H3
InChIKeyKPEYKJARABAZJL-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.69
Rot. Bonds7

About 2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine

2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine (PubChem CID 141121125) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine
PubChem CID141121125
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1cc(C)c(-c2ccccc2)c(C)c1
InChIInChI=1S/C20H27NO/c1-5-21(6-2)12-13-22-19-14-16(3)20(17(4)15-19)18-10-8-7-9-11-18/h7-11,14-15H,5-6,12-13H2,1-4H3
InChIKeyKPEYKJARABAZJL-UHFFFAOYSA-N
XLogP4.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-chlorobutoxy)-1,3-dimethyl-2-phenylbenzene
CID 21281265
2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine
CID 160547333
3-[4-[[3-[4-[2-(diethylamino)ethoxy]-2,6-dimethylphenyl]phenyl]methoxy]-2-fluorophenyl]propanoic acid
CID 58903162
N,N-diethyl-2-(2-phenylquinolin-7-yl)oxyethanamine
CID 154372459
3-[2-(diethylamino)ethoxy]-N,N-dimethylaniline
CID 58006190
2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide
CID 3052735
1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol
CID 175517595
2-(3-tert-butylphenoxy)-N,N-diethylethanamine
CID 20619676
N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine
CID 2848079
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine
CID 145071342
2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine
CID 11799561

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine?
The IUPAC name of 2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine (CID 141121125) is 2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine?
The canonical SMILES for 2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine is CCN(CC)CCOc1cc(C)c(-c2ccccc2)c(C)c1.
What is the InChIKey of 2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine?
The InChIKey is KPEYKJARABAZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-5-21(6-2)12-13-22-19-14-16(3)20(17(4)15-19)18-10-8-7-9-11-18/h7-11,14-15H,5-6,12-13H2,1-4H3.
What are the key properties of 2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine?
2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine has a molecular weight of 297.44 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine is sourced from PubChem (CID 141121125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).