1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine

C9H11F3N2O — CID 104822060

IUPAC1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCc1ccc(CNOCC(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O/c1-7-2-3-8(4-13-7)5-14-15-6-9(10,11)12/h2-4,14H,5-6H2,1H3
InChIKeyRPUYPJARRXHQQX-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.97
Rot. Bonds4

About 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine

1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 104822060) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID104822060
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCc1ccc(CNOCC(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O/c1-7-2-3-8(4-13-7)5-14-15-6-9(10,11)12/h2-4,14H,5-6H2,1H3
InChIKeyRPUYPJARRXHQQX-UHFFFAOYSA-N
XLogP1.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711445
(2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 94204725
1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712089
1-(4-methylsulfanylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712799
6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 81340039
1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711741
4-[(2,2,2-trifluoroethoxyamino)methyl]benzoic acid
CID 82711773
2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 80695988
1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82721399
2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 60965717
5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline
CID 107286240
N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215250

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine (CID 104822060) is 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine is Cc1ccc(CNOCC(F)(F)F)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is RPUYPJARRXHQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-7-2-3-8(4-13-7)5-14-15-6-9(10,11)12/h2-4,14H,5-6H2,1H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine?
1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 220.19 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 104822060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).