1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine

C9H11F3N2O — CID 175358714

IUPAC1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(CNC(F)C(F)F)cn1
InChIInChI=1S/C9H11F3N2O/c1-15-7-3-2-6(4-13-7)5-14-9(12)8(10)11/h2-4,8-9,14H,5H2,1H3
InChIKeyNVOSUDPNBBYGAH-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.74
Rot. Bonds5

About 1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine

1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 175358714) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID175358714
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(CNC(F)C(F)F)cn1
InChIInChI=1S/C9H11F3N2O/c1-15-7-3-2-6(4-13-7)5-14-9(12)8(10)11/h2-4,8-9,14H,5H2,1H3
InChIKeyNVOSUDPNBBYGAH-UHFFFAOYSA-N
XLogP1.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile
CID 62991342
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43206293
1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 103271063
2-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 60711228
N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine
CID 63946078
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43206362
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate
CID 113292334
1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 43770459

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine (CID 175358714) is 1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine is COc1ccc(CNC(F)C(F)F)cn1.
What is the InChIKey of 1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is NVOSUDPNBBYGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-15-7-3-2-6(4-13-7)5-14-9(12)8(10)11/h2-4,8-9,14H,5H2,1H3.
What are the key properties of 1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 220.19 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 175358714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).