[(2S)-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine

C12H16F3N3O — CID 125435383

IUPAC[(2S)-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine
SMILESCc1cc(C(F)(F)F)cc(N2CCO[C@@H](CN)C2)n1
InChIInChI=1S/C12H16F3N3O/c1-8-4-9(12(13,14)15)5-11(17-8)18-2-3-19-10(6-16)7-18/h4-5,10H,2-3,6-7,16H2,1H3/t10-/m0/s1
InChIKeyNSFWXMKQNNWKEL-JTQLQIEISA-N
MW275.27 g/mol
LogP1.57
Rot. Bonds2

About [(2S)-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine

[(2S)-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine (PubChem CID 125435383) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is [(2S)-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine
PubChem CID125435383
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name[(2S)-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine
SMILESCc1cc(C(F)(F)F)cc(N2CCO[C@@H](CN)C2)n1
InChIInChI=1S/C12H16F3N3O/c1-8-4-9(12(13,14)15)5-11(17-8)18-2-3-19-10(6-16)7-18/h4-5,10H,2-3,6-7,16H2,1H3/t10-/m0/s1
InChIKeyNSFWXMKQNNWKEL-JTQLQIEISA-N
XLogP1.57
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine?
The IUPAC name of [(2S)-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine (CID 125435383) is [(2S)-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [(2S)-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine?
The canonical SMILES for [(2S)-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine is Cc1cc(C(F)(F)F)cc(N2CCO[C@@H](CN)C2)n1.
What is the InChIKey of [(2S)-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine?
The InChIKey is NSFWXMKQNNWKEL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-8-4-9(12(13,14)15)5-11(17-8)18-2-3-19-10(6-16)7-18/h4-5,10H,2-3,6-7,16H2,1H3/t10-/m0/s1.
What are the key properties of [(2S)-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine?
[(2S)-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine has a molecular weight of 275.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 125435383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).