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

C13H21FN2O4 — CID 105391741

IUPAC[3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine
SMILESCOCCOCCOCCOc1nccc(CN)c1F
InChIInChI=1S/C13H21FN2O4/c1-17-4-5-18-6-7-19-8-9-20-13-12(14)11(10-15)2-3-16-13/h2-3H,4-10,15H2,1H3
InChIKeyCSBKNUKNNNZQPE-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.74
Rot. Bonds11

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

[3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine (PubChem CID 105391741) has the molecular formula C13H21FN2O4 and a molecular weight of 288.32 g/mol. Its IUPAC name is [3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine
PubChem CID105391741
Molecular FormulaC13H21FN2O4
Molecular Weight288.32 g/mol
Exact Mass288.15
IUPAC Name[3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine
SMILESCOCCOCCOCCOc1nccc(CN)c1F
InChIInChI=1S/C13H21FN2O4/c1-17-4-5-18-6-7-19-8-9-20-13-12(14)11(10-15)2-3-16-13/h2-3H,4-10,15H2,1H3
InChIKeyCSBKNUKNNNZQPE-UHFFFAOYSA-N
XLogP0.74
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine
CID 106449463
N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 105391746
[3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine
CID 105390892
N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
CID 103180864
[2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391130
N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105391480
[2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 103176685
[3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine
CID 105390800
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
[2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391433
[2-(2-bromo-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391301
N-[[2-(2-ethoxyethoxy)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390809

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine?
The IUPAC name of [3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine (CID 105391741) is [3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine.
What is the SMILES notation for [3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine?
The canonical SMILES for [3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine is COCCOCCOCCOc1nccc(CN)c1F.
What is the InChIKey of [3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine?
The InChIKey is CSBKNUKNNNZQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O4/c1-17-4-5-18-6-7-19-8-9-20-13-12(14)11(10-15)2-3-16-13/h2-3H,4-10,15H2,1H3.
What are the key properties of [3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine?
[3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine has a molecular weight of 288.32 g/mol, XLogP of 0.74, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine is sourced from PubChem (CID 105391741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).