[3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine

C12H19FN2O2 — CID 106449463

IUPAC[3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine
SMILESCC(C)COCCOc1nccc(CN)c1F
InChIInChI=1S/C12H19FN2O2/c1-9(2)8-16-5-6-17-12-11(13)10(7-14)3-4-15-12/h3-4,9H,5-8,14H2,1-2H3
InChIKeyNOIVPNQLUPXNMH-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.73
Rot. Bonds7

About [3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine

[3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine (PubChem CID 106449463) has the molecular formula C12H19FN2O2 and a molecular weight of 242.29 g/mol. Its IUPAC name is [3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine
PubChem CID106449463
Molecular FormulaC12H19FN2O2
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC Name[3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine
SMILESCC(C)COCCOc1nccc(CN)c1F
InChIInChI=1S/C12H19FN2O2/c1-9(2)8-16-5-6-17-12-11(13)10(7-14)3-4-15-12/h3-4,9H,5-8,14H2,1-2H3
InChIKeyNOIVPNQLUPXNMH-UHFFFAOYSA-N
XLogP1.73
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine
CID 105391741
[3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine
CID 105390892
[3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine
CID 106446703
[3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine
CID 105390800
[2-(difluoromethoxy)-3-fluoro-4-pyridinyl]methanamine
CID 168892634
3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448463
4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 105389620
2-fluoro-4-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106447528
N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
CID 103180864
N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105391480
N-[[2-(2-ethoxyethoxy)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390809
[2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391130

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine?
The IUPAC name of [3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine (CID 106449463) is [3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine.
What is the SMILES notation for [3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine?
The canonical SMILES for [3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine is CC(C)COCCOc1nccc(CN)c1F.
What is the InChIKey of [3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine?
The InChIKey is NOIVPNQLUPXNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2/c1-9(2)8-16-5-6-17-12-11(13)10(7-14)3-4-15-12/h3-4,9H,5-8,14H2,1-2H3.
What are the key properties of [3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine?
[3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine has a molecular weight of 242.29 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine is sourced from PubChem (CID 106449463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).