(1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine

C15H15F3N2O — CID 28647890

IUPAC(1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESC[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1ccccn1
InChIInChI=1S/C15H15F3N2O/c1-11(14-4-2-3-9-19-14)20-10-12-5-7-13(8-6-12)21-15(16,17)18/h2-9,11,20H,10H2,1H3/t11-/m1/s1
InChIKeyNLGSYTVFULKKKX-LLVKDONJSA-N
MW296.29 g/mol
LogP3.83
Rot. Bonds5

About (1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine

(1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 28647890) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is (1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID28647890
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name(1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESC[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1ccccn1
InChIInChI=1S/C15H15F3N2O/c1-11(14-4-2-3-9-19-14)20-10-12-5-7-13(8-6-12)21-15(16,17)18/h2-9,11,20H,10H2,1H3/t11-/m1/s1
InChIKeyNLGSYTVFULKKKX-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

(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28564761
(1S)-1-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437978
1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 43082298
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 43195719
(1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 81407500
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051180
4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide
CID 43192891
N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 43206290
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 78978043

Frequently Asked Questions

What is the IUPAC name of (1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of (1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 28647890) is (1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for (1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine is C[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1ccccn1.
What is the InChIKey of (1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is NLGSYTVFULKKKX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-11(14-4-2-3-9-19-14)20-10-12-5-7-13(8-6-12)21-15(16,17)18/h2-9,11,20H,10H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
(1R)-1-pyridin-2-yl-N-[[4-(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-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 28647890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).