(1S)-2,2,2-trifluoro-1-(6-methoxy-2-pyridinyl)ethanamine

C8H9F3N2O — CID 97296490

IUPAC(1S)-2,2,2-trifluoro-1-(6-methoxy-2-pyridinyl)ethanamine
SMILESCOc1cccc([C@H](N)C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O/c1-14-6-4-2-3-5(13-6)7(12)8(9,10)11/h2-4,7H,12H2,1H3/t7-/m0/s1
InChIKeyVHGANISUJBOFSQ-ZETCQYMHSA-N
MW206.17 g/mol
LogP1.65
Rot. Bonds2

About (1S)-2,2,2-trifluoro-1-(6-methoxy-2-pyridinyl)ethanamine

(1S)-2,2,2-trifluoro-1-(6-methoxy-2-pyridinyl)ethanamine (PubChem CID 97296490) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(6-methoxy-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(6-methoxy-2-pyridinyl)ethanamine
PubChem CID97296490
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name(1S)-2,2,2-trifluoro-1-(6-methoxy-2-pyridinyl)ethanamine
SMILESCOc1cccc([C@H](N)C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O/c1-14-6-4-2-3-5(13-6)7(12)8(9,10)11/h2-4,7H,12H2,1H3/t7-/m0/s1
InChIKeyVHGANISUJBOFSQ-ZETCQYMHSA-N
XLogP1.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2,2,2-trifluoro-1-(6-methyl-2-pyridinyl)ethanamine;hydrochloride
CID 171243254
2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 82654871
[(6-methoxy-2-pyridinyl)-trimethylsilylmethyl]-trimethylsilane
CID 58835865
1-(6-methoxy-2-pyridinyl)ethylhydrazine
CID 53402364
1-(6-methoxy-2-pyridinyl)-2,2-dimethylpropan-1-ol
CID 10679382
2-(6-methoxy-2-pyridinyl)propanedial
CID 89007961
(6-methoxy-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanol
CID 103348149
3-(6-methoxy-2-pyridinyl)butan-2-ol
CID 63588761
3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol
CID 170827832
2-(6-methoxy-2-pyridinyl)pentan-3-amine
CID 63587617
2,3-dihydroxy-3-(6-methoxy-2-pyridinyl)propanamide
CID 171867949
3-amino-1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-ol
CID 103348723

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-(6-methoxy-2-pyridinyl)ethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(6-methoxy-2-pyridinyl)ethanamine (CID 97296490) is (1S)-2,2,2-trifluoro-1-(6-methoxy-2-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(6-methoxy-2-pyridinyl)ethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(6-methoxy-2-pyridinyl)ethanamine is COc1cccc([C@H](N)C(F)(F)F)n1.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(6-methoxy-2-pyridinyl)ethanamine?
The InChIKey is VHGANISUJBOFSQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-14-6-4-2-3-5(13-6)7(12)8(9,10)11/h2-4,7H,12H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(6-methoxy-2-pyridinyl)ethanamine?
(1S)-2,2,2-trifluoro-1-(6-methoxy-2-pyridinyl)ethanamine has a molecular weight of 206.17 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-(6-methoxy-2-pyridinyl)ethanamine is sourced from PubChem (CID 97296490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).