(2S,3R)-2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxolan-3-amine

C17H17F3N2O2 — CID 136588619

IUPAC(2S,3R)-2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxolan-3-amine
SMILESCOc1cc(C(F)(F)F)ccc1-c1cncc([C@@H]2OCC[C@H]2N)c1
InChIInChI=1S/C17H17F3N2O2/c1-23-15-7-12(17(18,19)20)2-3-13(15)10-6-11(9-22-8-10)16-14(21)4-5-24-16/h2-3,6-9,14,16H,4-5,21H2,1H3/t14-,16+/m1/s1
InChIKeySUWHEYMTOCXFJI-ZBFHGGJFSA-N
MW338.33 g/mol
LogP3.56
Rot. Bonds3

About (2S,3R)-2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxolan-3-amine

(2S,3R)-2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxolan-3-amine (PubChem CID 136588619) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is (2S,3R)-2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxolan-3-amine
PubChem CID136588619
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name(2S,3R)-2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxolan-3-amine
SMILESCOc1cc(C(F)(F)F)ccc1-c1cncc([C@@H]2OCC[C@H]2N)c1
InChIInChI=1S/C17H17F3N2O2/c1-23-15-7-12(17(18,19)20)2-3-13(15)10-6-11(9-22-8-10)16-14(21)4-5-24-16/h2-3,6-9,14,16H,4-5,21H2,1H3/t14-,16+/m1/s1
InChIKeySUWHEYMTOCXFJI-ZBFHGGJFSA-N
XLogP3.56
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-fluorophenyl)-3-pyridinyl]oxolan-3-amine;dihydrochloride
CID 172642974
3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
CID 46317325
(2S,3R)-2-[5-(3-cyclobutylphenyl)-3-pyridinyl]oxolan-3-amine
CID 138045902
1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine
CID 118057436
[4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
CID 168665249
(2R,3S)-2-pyridin-4-yloxolan-3-amine
CID 119032003
(2S,3S)-2-pyridin-3-yloxolan-3-amine
CID 124511858
5-[2-fluoro-4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine
CID 90313982
(S)-[2-methoxy-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine;hydrochloride
CID 171245200
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944
6-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 167941643
[5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine
CID 102755639

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxolan-3-amine?
The IUPAC name of (2S,3R)-2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxolan-3-amine (CID 136588619) is (2S,3R)-2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxolan-3-amine.
What is the SMILES notation for (2S,3R)-2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxolan-3-amine?
The canonical SMILES for (2S,3R)-2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxolan-3-amine is COc1cc(C(F)(F)F)ccc1-c1cncc([C@@H]2OCC[C@H]2N)c1.
What is the InChIKey of (2S,3R)-2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxolan-3-amine?
The InChIKey is SUWHEYMTOCXFJI-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-23-15-7-12(17(18,19)20)2-3-13(15)10-6-11(9-22-8-10)16-14(21)4-5-24-16/h2-3,6-9,14,16H,4-5,21H2,1H3/t14-,16+/m1/s1.
What are the key properties of (2S,3R)-2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxolan-3-amine?
(2S,3R)-2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxolan-3-amine has a molecular weight of 338.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxolan-3-amine is sourced from PubChem (CID 136588619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).