N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine

C13H18F3NO — CID 63641162

IUPACN-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(C)cc1OCC(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-4-17-10(3)11-6-5-9(2)7-12(11)18-8-13(14,15)16/h5-7,10,17H,4,8H2,1-3H3
InChIKeyJPQBELGLUQIPIJ-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.61
Rot. Bonds5

About N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine

N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine (PubChem CID 63641162) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
PubChem CID63641162
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(C)cc1OCC(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-4-17-10(3)11-6-5-9(2)7-12(11)18-8-13(14,15)16/h5-7,10,17H,4,8H2,1-3H3
InChIKeyJPQBELGLUQIPIJ-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115513259
N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine
CID 63640648
1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640644
1-[2-(3-ethoxypropoxy)-4-methylphenyl]-N-ethylethanamine
CID 65176576
N-ethyl-1-(4-methyl-2-phenylmethoxyphenyl)ethanamine
CID 63640314
N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine
CID 64554154
2-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63640979
1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640996
N-ethyl-1-[4-methyl-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanamine
CID 63640489
1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640993
N-ethyl-1-[4-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 63640834
N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine
CID 106722324

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine (CID 63641162) is N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine is CCNC(C)c1ccc(C)cc1OCC(F)(F)F.
What is the InChIKey of N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine?
The InChIKey is JPQBELGLUQIPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-4-17-10(3)11-6-5-9(2)7-12(11)18-8-13(14,15)16/h5-7,10,17H,4,8H2,1-3H3.
What are the key properties of N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine?
N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine has a molecular weight of 261.29 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine is sourced from PubChem (CID 63641162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).