N-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine

C16H17F3N2 — CID 102708742

IUPACN-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine
SMILESCCNC(C)c1ccc(-c2cnccc2C(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2/c1-3-21-11(2)12-4-6-13(7-5-12)14-10-20-9-8-15(14)16(17,18)19/h4-11,21H,3H2,1-2H3
InChIKeyGHBLUWHPUOCMLZ-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.44
Rot. Bonds4

About N-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine

N-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine (PubChem CID 102708742) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine
PubChem CID102708742
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC NameN-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine
SMILESCCNC(C)c1ccc(-c2cnccc2C(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2/c1-3-21-11(2)12-4-6-13(7-5-12)14-10-20-9-8-15(14)16(17,18)19/h4-11,21H,3H2,1-2H3
InChIKeyGHBLUWHPUOCMLZ-UHFFFAOYSA-N
XLogP4.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine
CID 102708716
N-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine
CID 102708697
4-[4-(trifluoromethyl)-3-pyridinyl]benzaldehyde
CID 102708678
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine
CID 115781012
N-ethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102708349
2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine
CID 169408045
N-ethyl-3-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102709215
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine
CID 106888255
N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62763608
1-[4-(2-chloro-4,5-difluorophenyl)phenyl]-N-ethylethanamine
CID 107476887
1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine
CID 63424435

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine (CID 102708742) is N-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine is CCNC(C)c1ccc(-c2cnccc2C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine?
The InChIKey is GHBLUWHPUOCMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-3-21-11(2)12-4-6-13(7-5-12)14-10-20-9-8-15(14)16(17,18)19/h4-11,21H,3H2,1-2H3.
What are the key properties of N-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine?
N-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine has a molecular weight of 294.32 g/mol, XLogP of 4.44, 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-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine is sourced from PubChem (CID 102708742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).