N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine

C11H14F3NO — CID 24697408

IUPACN-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-3-15-8(2)9-4-6-10(7-5-9)16-11(12,13)14/h4-8,15H,3H2,1-2H3
InChIKeyJCHGTBWESYCBSN-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.26
Rot. Bonds4

About N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine

N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 24697408) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
PubChem CID24697408
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC NameN-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-3-15-8(2)9-4-6-10(7-5-9)16-11(12,13)14/h4-8,15H,3H2,1-2H3
InChIKeyJCHGTBWESYCBSN-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 43190379
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butan-2-amine
CID 43190319
4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine
CID 63452559
3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]but-2-en-1-amine
CID 106179794
2-methylsulfinyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115896100
2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 63981698
N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
CID 43567720
5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol
CID 107270306
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28564761
3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63899798

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine (CID 24697408) is N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine is CCNC(C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is JCHGTBWESYCBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-3-15-8(2)9-4-6-10(7-5-9)16-11(12,13)14/h4-8,15H,3H2,1-2H3.
What are the key properties of N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine?
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 233.23 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 24697408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).