(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine

C13H11F3N2 — CID 28502674

IUPAC(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
SMILESN[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2/c14-13(15,16)11-5-1-3-9(7-11)12(17)10-4-2-6-18-8-10/h1-8,12H,17H2/t12-/m1/s1
InChIKeyUXJHXOOPEBTWIY-GFCCVEGCSA-N
MW252.24 g/mol
LogP3.15
Rot. Bonds2

About (R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine

(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 28502674) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is (R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID28502674
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
SMILESN[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2/c14-13(15,16)11-5-1-3-9(7-11)12(17)10-4-2-6-18-8-10/h1-8,12H,17H2/t12-/m1/s1
InChIKeyUXJHXOOPEBTWIY-GFCCVEGCSA-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

(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115374254
2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62791242
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
3-amino-1-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190750
(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107503114
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107974770
(5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65105009
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
(4-fluoro-3,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65299620
(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine
CID 60923509
pyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 70392473
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585

Frequently Asked Questions

What is the IUPAC name of (R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine (CID 28502674) is (R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine is N[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is UXJHXOOPEBTWIY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H11F3N2/c14-13(15,16)11-5-1-3-9(7-11)12(17)10-4-2-6-18-8-10/h1-8,12H,17H2/t12-/m1/s1.
What are the key properties of (R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine?
(R)-pyridin-3-yl-[3-(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 (R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 28502674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).