N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine

C11H14F3NO — CID 43277259

IUPACN-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCC(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-2-15-7-9-5-3-4-6-10(9)16-8-11(12,13)14/h3-6,15H,2,7-8H2,1H3
InChIKeyOMPKAURCZKGSHO-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.74
Rot. Bonds5

About N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine

N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine (PubChem CID 43277259) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
PubChem CID43277259
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC NameN-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCC(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-2-15-7-9-5-3-4-6-10(9)16-8-11(12,13)14/h3-6,15H,2,7-8H2,1H3
InChIKeyOMPKAURCZKGSHO-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 63323168
ethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene
CID 142580801
N-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine
CID 82959122
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849925
N-[[2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]phenyl]methyl]ethanamine
CID 66274881
N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 61390095
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111215789
2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119744429
2-methyl-3-(methylamino)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 119744421
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine (CID 43277259) is N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine is CCNCc1ccccc1OCC(F)(F)F.
What is the InChIKey of N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine?
The InChIKey is OMPKAURCZKGSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-2-15-7-9-5-3-4-6-10(9)16-8-11(12,13)14/h3-6,15H,2,7-8H2,1H3.
What are the key properties of N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine?
N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine has a molecular weight of 233.23 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43277259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).