(2S)-N,2-dimethyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine

C19H23F3N2O — CID 139211018

IUPAC(2S)-N,2-dimethyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine
SMILESC[C@@H](Cc1ccccc1)CN(C)CCOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H23F3N2O/c1-15(13-16-7-4-3-5-8-16)14-24(2)11-12-25-18-10-6-9-17(23-18)19(20,21)22/h3-10,15H,11-14H2,1-2H3/t15-/m0/s1
InChIKeyGESBNOUEZGUZJK-HNNXBMFYSA-N
MW352.40 g/mol
LogP4.29
Rot. Bonds8

About (2S)-N,2-dimethyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine

(2S)-N,2-dimethyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine (PubChem CID 139211018) has the molecular formula C19H23F3N2O and a molecular weight of 352.40 g/mol. Its IUPAC name is (2S)-N,2-dimethyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine.

Molecular Properties

Compound Name(2S)-N,2-dimethyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine
PubChem CID139211018
Molecular FormulaC19H23F3N2O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name(2S)-N,2-dimethyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine
SMILESC[C@@H](Cc1ccccc1)CN(C)CCOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H23F3N2O/c1-15(13-16-7-4-3-5-8-16)14-24(2)11-12-25-18-10-6-9-17(23-18)19(20,21)22/h3-10,15H,11-14H2,1-2H3/t15-/m0/s1
InChIKeyGESBNOUEZGUZJK-HNNXBMFYSA-N
XLogP4.29
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dimethyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine?
The IUPAC name of (2S)-N,2-dimethyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine (CID 139211018) is (2S)-N,2-dimethyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine.
What is the SMILES notation for (2S)-N,2-dimethyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine?
The canonical SMILES for (2S)-N,2-dimethyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine is C[C@@H](Cc1ccccc1)CN(C)CCOc1cccc(C(F)(F)F)n1.
What is the InChIKey of (2S)-N,2-dimethyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine?
The InChIKey is GESBNOUEZGUZJK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23F3N2O/c1-15(13-16-7-4-3-5-8-16)14-24(2)11-12-25-18-10-6-9-17(23-18)19(20,21)22/h3-10,15H,11-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-N,2-dimethyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine?
(2S)-N,2-dimethyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine has a molecular weight of 352.40 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-dimethyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine is sourced from PubChem (CID 139211018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).