N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine

C11H13F4N — CID 79021470

IUPACN-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
SMILESCCNCCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H13F4N/c1-2-16-4-3-8-5-9(11(13,14)15)7-10(12)6-8/h5-7,16H,2-4H2,1H3
InChIKeyKYSQHJHMVZENOS-UHFFFAOYSA-N
MW235.22 g/mol
LogP3.00
Rot. Bonds4

About N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine

N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine (PubChem CID 79021470) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
PubChem CID79021470
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC NameN-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
SMILESCCNCCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H13F4N/c1-2-16-4-3-8-5-9(11(13,14)15)7-10(12)6-8/h5-7,16H,2-4H2,1H3
InChIKeyKYSQHJHMVZENOS-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 58568398
N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine
CID 162577330
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83306725
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115350279
1,3-dipropyl-5-(trifluoromethyl)benzene
CID 58332275
1-ethyl-3-propyl-5-(trifluoromethyl)benzene
CID 134502293
N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 119509675
3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile
CID 53434405
3-butoxy-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115748160
N-[2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 64554825
N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine
CID 115350662
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 115350611

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine (CID 79021470) is N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine is CCNCCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is KYSQHJHMVZENOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c1-2-16-4-3-8-5-9(11(13,14)15)7-10(12)6-8/h5-7,16H,2-4H2,1H3.
What are the key properties of N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine?
N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 235.22 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 79021470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).