2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)benzonitrile

C14H17F3N2O — CID 61102860

IUPAC2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)benzonitrile
SMILESCCN(CC)CCOc1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C14H17F3N2O/c1-3-19(4-2)7-8-20-13-6-5-12(14(15,16)17)9-11(13)10-18/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyLNAGWMXVTLKAIJ-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.30
Rot. Bonds6

About 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)benzonitrile

2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)benzonitrile (PubChem CID 61102860) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)benzonitrile
PubChem CID61102860
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)benzonitrile
SMILESCCN(CC)CCOc1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C14H17F3N2O/c1-3-19(4-2)7-8-20-13-6-5-12(14(15,16)17)9-11(13)10-18/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyLNAGWMXVTLKAIJ-UHFFFAOYSA-N
XLogP3.30
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[2-(diethylamino)ethoxy]benzonitrile
CID 22685106
2-(3-hydroxypropoxy)-5-(trifluoromethyl)benzonitrile
CID 43153605
ethyl 2-[2-cyano-4-(trifluoromethyl)phenoxy]acetate
CID 59825201
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 2993848
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 2993847
3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile
CID 114287930
2-[(1-aminocyclopentyl)methoxy]-5-(trifluoromethyl)benzonitrile
CID 64572246
2-methoxy-4-(trifluoromethyl)benzonitrile
CID 19001376
2-ethyl-5-(trifluoromethyl)benzonitrile
CID 66612776
2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)benzonitrile
CID 43331128
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide
CID 55931191
N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylprop-2-enamide
CID 68876114

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)benzonitrile (CID 61102860) is 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)benzonitrile is CCN(CC)CCOc1ccc(C(F)(F)F)cc1C#N.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)benzonitrile?
The InChIKey is LNAGWMXVTLKAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-3-19(4-2)7-8-20-13-6-5-12(14(15,16)17)9-11(13)10-18/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)benzonitrile?
2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)benzonitrile has a molecular weight of 286.30 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 61102860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).