N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine

C12H16F3NO — CID 62337631

IUPACN-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
SMILESCCNCCOCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-2-16-7-8-17-9-10-3-5-11(6-4-10)12(13,14)15/h3-6,16H,2,7-9H2,1H3
InChIKeyZCOZBTPAAUGTTH-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.83
Rot. Bonds6

About N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine

N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine (PubChem CID 62337631) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
PubChem CID62337631
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC NameN-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
SMILESCCNCCOCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-2-16-7-8-17-9-10-3-5-11(6-4-10)12(13,14)15/h3-6,16H,2,7-9H2,1H3
InChIKeyZCOZBTPAAUGTTH-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 62337818
1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene
CID 162563157
2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine
CID 105404471
N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine
CID 55073008
N-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
CID 79592722
N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine
CID 62336871
3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 55129127
2-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60702149
1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene
CID 155664426
N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62338555
N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 79971788
[4-(trifluoromethyl)phenyl]methoxyazanium
CID 3744378

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
The IUPAC name of N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine (CID 62337631) is N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine is CCNCCOCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
The InChIKey is ZCOZBTPAAUGTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-2-16-7-8-17-9-10-3-5-11(6-4-10)12(13,14)15/h3-6,16H,2,7-9H2,1H3.
What are the key properties of N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine has a molecular weight of 247.26 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine is sourced from PubChem (CID 62337631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).