1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol

C10H13F3N2O — CID 115611293

IUPAC1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
SMILESCc1ncccc1CNCC(O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-7-8(3-2-4-15-7)5-14-6-9(16)10(11,12)13/h2-4,9,14,16H,5-6H2,1H3
InChIKeyLRQXKBJLIIXICA-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.40
Rot. Bonds4

About 1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol

1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol (PubChem CID 115611293) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
PubChem CID115611293
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
SMILESCc1ncccc1CNCC(O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-7-8(3-2-4-15-7)5-14-6-9(16)10(11,12)13/h2-4,9,14,16H,5-6H2,1H3
InChIKeyLRQXKBJLIIXICA-UHFFFAOYSA-N
XLogP1.40
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol
CID 115611326
(E)-N-[(2-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)but-2-en-1-amine
CID 145498037
1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 2783073
(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482360
(2R)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482361
1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 111110859
1,1,1-trifluoro-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propan-2-ol
CID 103745198
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 114093179
N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine
CID 78928581
(2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274150
2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
CID 115611231

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol (CID 115611293) is 1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol is Cc1ncccc1CNCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol?
The InChIKey is LRQXKBJLIIXICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7-8(3-2-4-15-7)5-14-6-9(16)10(11,12)13/h2-4,9,14,16H,5-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol?
1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol has a molecular weight of 234.22 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol is sourced from PubChem (CID 115611293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).