(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine

C13H11F3N2 — CID 71164818

IUPAC(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
SMILESN[C@@H](c1ccc(C(F)(F)F)cc1)c1ccccn1
InChIInChI=1S/C13H11F3N2/c14-13(15,16)10-6-4-9(5-7-10)12(17)11-3-1-2-8-18-11/h1-8,12H,17H2/t12-/m0/s1
InChIKeyBUJJUSHYIQQJJJ-LBPRGKRZSA-N
MW252.24 g/mol
LogP3.15
Rot. Bonds2

About (S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine

(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 71164818) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is (S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID71164818
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
SMILESN[C@@H](c1ccc(C(F)(F)F)cc1)c1ccccn1
InChIInChI=1S/C13H11F3N2/c14-13(15,16)10-6-4-9(5-7-10)12(17)11-3-1-2-8-18-11/h1-8,12H,17H2/t12-/m0/s1
InChIKeyBUJJUSHYIQQJJJ-LBPRGKRZSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 145107737
2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 162046659
(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144280
(S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144422
N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 43192853
2,2,2-trifluoro-1-pyridin-2-ylethanamine
CID 25219911
(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 114022944
(S)-pyridin-2-yl(pyridin-3-yl)methanamine
CID 86315357
[4-[pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]phenyl] acetate
CID 162673252
(6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 102950754
pyridin-2-yl(quinolin-7-yl)methanamine
CID 81220993
N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62789836

Frequently Asked Questions

What is the IUPAC name of (S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine (CID 71164818) is (S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine is N[C@@H](c1ccc(C(F)(F)F)cc1)c1ccccn1.
What is the InChIKey of (S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is BUJJUSHYIQQJJJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H11F3N2/c14-13(15,16)10-6-4-9(5-7-10)12(17)11-3-1-2-8-18-11/h1-8,12H,17H2/t12-/m0/s1.
What are the key properties of (S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine?
(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 252.24 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 71164818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).