(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine

C13H11F3N2O — CID 171246372

IUPAC(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@@H](c1ccncc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)19-11-3-1-9(2-4-11)12(17)10-5-7-18-8-6-10/h1-8,12H,17H2/t12-/m1/s1
InChIKeyYHDHDPKGAZJVSC-GFCCVEGCSA-N
MW268.24 g/mol
LogP3.03
Rot. Bonds3

About (R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine

(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171246372) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is (R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171246372
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@@H](c1ccncc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)19-11-3-1-9(2-4-11)12(17)10-5-7-18-8-6-10/h1-8,12H,17H2/t12-/m1/s1
InChIKeyYHDHDPKGAZJVSC-GFCCVEGCSA-N
XLogP3.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
(R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171247522
(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
CID 171242116
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508
(5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 115804926
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,2-diol
CID 171245554
5-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,3-diol;hydrochloride
CID 171239519
(S)-(6-bromo-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240762
(S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171252024

Frequently Asked Questions

What is the IUPAC name of (R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine (CID 171246372) is (R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine is N[C@@H](c1ccncc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is YHDHDPKGAZJVSC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-13(15,16)19-11-3-1-9(2-4-11)12(17)10-5-7-18-8-6-10/h1-8,12H,17H2/t12-/m1/s1.
What are the key properties of (R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine?
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 268.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171246372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).