6-[(2S)-morpholin-2-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine

C16H16F3N3O — CID 118484359

IUPAC6-[(2S)-morpholin-2-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFC(F)(F)c1ccc(Nc2ccc([C@@H]3CNCCO3)nc2)cc1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)11-1-3-12(4-2-11)22-13-5-6-14(21-9-13)15-10-20-7-8-23-15/h1-6,9,15,20,22H,7-8,10H2/t15-/m0/s1
InChIKeyCWRDKDSHVOKMNB-HNNXBMFYSA-N
MW323.32 g/mol
LogP3.50
Rot. Bonds3

About 6-[(2S)-morpholin-2-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine

6-[(2S)-morpholin-2-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 118484359) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 6-[(2S)-morpholin-2-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(2S)-morpholin-2-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
PubChem CID118484359
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name6-[(2S)-morpholin-2-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFC(F)(F)c1ccc(Nc2ccc([C@@H]3CNCCO3)nc2)cc1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)11-1-3-12(4-2-11)22-13-5-6-14(21-9-13)15-10-20-7-8-23-15/h1-6,9,15,20,22H,7-8,10H2/t15-/m0/s1
InChIKeyCWRDKDSHVOKMNB-HNNXBMFYSA-N
XLogP3.50
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-morpholin-2-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine?
The IUPAC name of 6-[(2S)-morpholin-2-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine (CID 118484359) is 6-[(2S)-morpholin-2-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine.
What is the SMILES notation for 6-[(2S)-morpholin-2-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine?
The canonical SMILES for 6-[(2S)-morpholin-2-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine is FC(F)(F)c1ccc(Nc2ccc([C@@H]3CNCCO3)nc2)cc1.
What is the InChIKey of 6-[(2S)-morpholin-2-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine?
The InChIKey is CWRDKDSHVOKMNB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c17-16(18,19)11-1-3-12(4-2-11)22-13-5-6-14(21-9-13)15-10-20-7-8-23-15/h1-6,9,15,20,22H,7-8,10H2/t15-/m0/s1.
What are the key properties of 6-[(2S)-morpholin-2-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine?
6-[(2S)-morpholin-2-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine has a molecular weight of 323.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-morpholin-2-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 118484359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).