N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine

C16H17F3N2 — CID 43202288

IUPACN-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NC(C)c1ccc(C(F)(F)F)cc1)c1ccncc1
InChIInChI=1S/C16H17F3N2/c1-11(21-12(2)14-7-9-20-10-8-14)13-3-5-15(6-4-13)16(17,18)19/h3-12,21H,1-2H3
InChIKeyHOWRUCVOZVNDAM-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.51
Rot. Bonds4

About N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine

N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 43202288) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID43202288
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC NameN-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NC(C)c1ccc(C(F)(F)F)cc1)c1ccncc1
InChIInChI=1S/C16H17F3N2/c1-11(21-12(2)14-7-9-20-10-8-14)13-3-5-15(6-4-13)16(17,18)19/h3-12,21H,1-2H3
InChIKeyHOWRUCVOZVNDAM-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol
CID 107706948
N-(pyrimidin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62748716
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 43524031
N-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43726981
1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 102869888
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
CID 89273186
N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328268
N-[1-(3-bromothiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43787401
1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 63445435

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 43202288) is N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is CC(NC(C)c1ccc(C(F)(F)F)cc1)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is HOWRUCVOZVNDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-11(21-12(2)14-7-9-20-10-8-14)13-3-5-15(6-4-13)16(17,18)19/h3-12,21H,1-2H3.
What are the key properties of N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 294.32 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 43202288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).