2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine

C11H14F3NO — CID 135380765

IUPAC2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine
SMILESCCOc1cc(C(F)(F)F)ccc1CCN
InChIInChI=1S/C11H14F3NO/c1-2-16-10-7-9(11(12,13)14)4-3-8(10)5-6-15/h3-4,7H,2,5-6,15H2,1H3
InChIKeyNCMGEOOGUPLECH-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.61
Rot. Bonds4

About 2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine

2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 135380765) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine
PubChem CID135380765
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine
SMILESCCOc1cc(C(F)(F)F)ccc1CCN
InChIInChI=1S/C11H14F3NO/c1-2-16-10-7-9(11(12,13)14)4-3-8(10)5-6-15/h3-4,7H,2,5-6,15H2,1H3
InChIKeyNCMGEOOGUPLECH-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-iodo-4-(trifluoromethyl)benzene
CID 164892007
2-(2-ethoxy-4,5-difluorophenyl)ethanamine
CID 83880849
1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 170999647
2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene
CID 164892008
4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine
CID 83921157
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene
CID 83921215
6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine
CID 83921161
methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
CID 82646434
2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine
CID 66967533
2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
CID 82262859
4-[2-ethoxy-5-(trifluoromethyl)phenyl]butane-1,2-diol
CID 83921247

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine (CID 135380765) is 2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine is CCOc1cc(C(F)(F)F)ccc1CCN.
What is the InChIKey of 2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is NCMGEOOGUPLECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-2-16-10-7-9(11(12,13)14)4-3-8(10)5-6-15/h3-4,7H,2,5-6,15H2,1H3.
What are the key properties of 2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine?
2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 233.23 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 135380765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).