N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine

C16H17F3N2 — CID 62602438

IUPACN-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(Cc1cccc(C(F)(F)F)c1)c1ccncc1
InChIInChI=1S/C16H17F3N2/c1-2-21-15(13-6-8-20-9-7-13)11-12-4-3-5-14(10-12)16(17,18)19/h3-10,15,21H,2,11H2,1H3
InChIKeyFEQDIKBLAZUIHU-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.99
Rot. Bonds5

About N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine

N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 62602438) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID62602438
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC NameN-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(Cc1cccc(C(F)(F)F)c1)c1ccncc1
InChIInChI=1S/C16H17F3N2/c1-2-21-15(13-6-8-20-9-7-13)11-12-4-3-5-14(10-12)16(17,18)19/h3-10,15,21H,2,11H2,1H3
InChIKeyFEQDIKBLAZUIHU-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65195617
N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65360501
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 102651729
(2S)-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 42563452
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569
N-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 66273581
N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 61078735
N-methyl-1-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62600521
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62603541
1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 115830875
N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine
CID 79178623
N-ethyl-1-propan-2-ylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65131790

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 62602438) is N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine is CCNC(Cc1cccc(C(F)(F)F)c1)c1ccncc1.
What is the InChIKey of N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is FEQDIKBLAZUIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-2-21-15(13-6-8-20-9-7-13)11-12-4-3-5-14(10-12)16(17,18)19/h3-10,15,21H,2,11H2,1H3.
What are the key properties of N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine?
N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 294.32 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 62602438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).