3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine

C17H19FN2O2 — CID 146249155

IUPAC3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine
SMILESCOc1ccc(-c2ccc(COC3CC(N)C3)nc2)cc1F
InChIInChI=1S/C17H19FN2O2/c1-21-17-5-3-11(6-16(17)18)12-2-4-14(20-9-12)10-22-15-7-13(19)8-15/h2-6,9,13,15H,7-8,10,19H2,1H3
InChIKeyCOFAJFKOCUAOBP-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.90
Rot. Bonds5

About 3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine

3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine (PubChem CID 146249155) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine
PubChem CID146249155
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine
SMILESCOc1ccc(-c2ccc(COC3CC(N)C3)nc2)cc1F
InChIInChI=1S/C17H19FN2O2/c1-21-17-5-3-11(6-16(17)18)12-2-4-14(20-9-12)10-22-15-7-13(19)8-15/h2-6,9,13,15H,7-8,10,19H2,1H3
InChIKeyCOFAJFKOCUAOBP-UHFFFAOYSA-N
XLogP2.90
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine?
The IUPAC name of 3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine (CID 146249155) is 3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine.
What is the SMILES notation for 3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine?
The canonical SMILES for 3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine is COc1ccc(-c2ccc(COC3CC(N)C3)nc2)cc1F.
What is the InChIKey of 3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine?
The InChIKey is COFAJFKOCUAOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-21-17-5-3-11(6-16(17)18)12-2-4-14(20-9-12)10-22-15-7-13(19)8-15/h2-6,9,13,15H,7-8,10,19H2,1H3.
What are the key properties of 3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine?
3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine has a molecular weight of 302.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine is sourced from PubChem (CID 146249155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).