(1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine

C15H14F4N2 — CID 115350727

IUPAC(1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine
SMILESC[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C15H14F4N2/c1-10(14-4-2-3-5-20-14)21-9-11-6-12(15(17,18)19)8-13(16)7-11/h2-8,10,21H,9H2,1H3/t10-/m1/s1
InChIKeyCMKIYKPHAPIKRZ-SNVBAGLBSA-N
MW298.28 g/mol
LogP4.09
Rot. Bonds4

About (1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine

(1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine (PubChem CID 115350727) has the molecular formula C15H14F4N2 and a molecular weight of 298.28 g/mol. Its IUPAC name is (1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine
PubChem CID115350727
Molecular FormulaC15H14F4N2
Molecular Weight298.28 g/mol
Exact Mass298.11
IUPAC Name(1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine
SMILESC[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C15H14F4N2/c1-10(14-4-2-3-5-20-14)21-9-11-6-12(15(17,18)19)8-13(16)7-11/h2-8,10,21H,9H2,1H3/t10-/m1/s1
InChIKeyCMKIYKPHAPIKRZ-SNVBAGLBSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051180
(1S)-N-[(3-fluoro-5-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 103954488
(1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28647890
1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 43082298
(1S)-1-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437978
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 47008253
(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
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81402354
(1R)-1-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81402120

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine (CID 115350727) is (1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine is C[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccccn1.
What is the InChIKey of (1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine?
The InChIKey is CMKIYKPHAPIKRZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14F4N2/c1-10(14-4-2-3-5-20-14)21-9-11-6-12(15(17,18)19)8-13(16)7-11/h2-8,10,21H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine?
(1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine has a molecular weight of 298.28 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 115350727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).