[(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Morpholin-4-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815439
4,6-Dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile
CID 2013066
4,6-Dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile
CID 698057
6-[3-(4,4-Difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine
CID 164513490
4-(2-Phenyl-6-trifluoromethyl-pyrimidin-4-yl)-morpholine
CID 796071
6-methyl-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 1868950
2,2-dimethyl-N-(6-methyl-4-(morpholinomethyl)pyridin-2-yl)butanamide
CID 24956409
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-(4-morpholinyl)-
CID 660957
6-[3-(4,4-Difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine
CID 164513484
N-benzyl-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 697249
N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 721057
6-Methyl-2-morpholino-4-(trifluoromethyl)nicotinonitrile
CID 3789900

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).