N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine

C14H21F3N2O — CID 62426627

IUPACN-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine
SMILESCCN(CCOc1ccc(CNC)cc1)CC(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-3-19(11-14(15,16)17)8-9-20-13-6-4-12(5-7-13)10-18-2/h4-7,18H,3,8-11H2,1-2H3
InChIKeyOEIQWTQLKUSRGH-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.67
Rot. Bonds8

About N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine

N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine (PubChem CID 62426627) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine
PubChem CID62426627
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine
SMILESCCN(CCOc1ccc(CNC)cc1)CC(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-3-19(11-14(15,16)17)8-9-20-13-6-4-12(5-7-13)10-18-2/h4-7,18H,3,8-11H2,1-2H3
InChIKeyOEIQWTQLKUSRGH-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 55074636
N,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine
CID 62436768
N-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62426299
N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62419349
N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(4-methoxyphenoxy)ethyl]ethanamine
CID 107488601
N-ethyl-2-methoxy-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62434714
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62426446
N-methyl-1-[4-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methanamine
CID 55077757
2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde
CID 86033023
1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62784164
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine (CID 62426627) is N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine is CCN(CCOc1ccc(CNC)cc1)CC(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine?
The InChIKey is OEIQWTQLKUSRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-3-19(11-14(15,16)17)8-9-20-13-6-4-12(5-7-13)10-18-2/h4-7,18H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine?
N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine has a molecular weight of 290.33 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine is sourced from PubChem (CID 62426627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).