(1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine

C15H15F3N2O — CID 107104527

IUPAC(1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESC[C@@H](NCc1cccc(OC(F)(F)F)c1)c1ccncc1
InChIInChI=1S/C15H15F3N2O/c1-11(13-5-7-19-8-6-13)20-10-12-3-2-4-14(9-12)21-15(16,17)18/h2-9,11,20H,10H2,1H3/t11-/m1/s1
InChIKeyUMHPPUYIWWOKFB-LLVKDONJSA-N
MW296.29 g/mol
LogP3.83
Rot. Bonds5

About (1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine

(1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 107104527) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is (1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID107104527
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name(1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESC[C@@H](NCc1cccc(OC(F)(F)F)c1)c1ccncc1
InChIInChI=1S/C15H15F3N2O/c1-11(13-5-7-19-8-6-13)20-10-12-3-2-4-14(9-12)21-15(16,17)18/h2-9,11,20H,10H2,1H3/t11-/m1/s1
InChIKeyUMHPPUYIWWOKFB-LLVKDONJSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 102675126
4,4,4-trifluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]butan-2-amine
CID 104854651
3-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]benzoic acid
CID 103258914
N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181021
(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28564761
N-[[3-(trifluoromethoxy)phenyl]methyl]heptan-2-amine
CID 107104430
1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 83306649
(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 86814419
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide
CID 103643810
(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406046
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 43195719

Frequently Asked Questions

What is the IUPAC name of (1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of (1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 107104527) is (1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for (1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine is C[C@@H](NCc1cccc(OC(F)(F)F)c1)c1ccncc1.
What is the InChIKey of (1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is UMHPPUYIWWOKFB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-11(13-5-7-19-8-6-13)20-10-12-3-2-4-14(9-12)21-15(16,17)18/h2-9,11,20H,10H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
(1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 296.29 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 107104527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).