3-ethoxy-N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-2-methoxycyclobutan-1-amine

C19H23FN2O2 — CID 154742870

IUPAC3-ethoxy-N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-2-methoxycyclobutan-1-amine
SMILESCCOC1CC(NCc2ccc(-c3ccncc3)cc2F)C1OC
InChIInChI=1S/C19H23FN2O2/c1-3-24-18-11-17(19(18)23-2)22-12-15-5-4-14(10-16(15)20)13-6-8-21-9-7-13/h4-10,17-19,22H,3,11-12H2,1-2H3
InChIKeyIXUSRAMZRGBYHG-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.17
Rot. Bonds7

About 3-ethoxy-N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-2-methoxycyclobutan-1-amine

3-ethoxy-N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-2-methoxycyclobutan-1-amine (PubChem CID 154742870) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 3-ethoxy-N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-2-methoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-2-methoxycyclobutan-1-amine
PubChem CID154742870
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name3-ethoxy-N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-2-methoxycyclobutan-1-amine
SMILESCCOC1CC(NCc2ccc(-c3ccncc3)cc2F)C1OC
InChIInChI=1S/C19H23FN2O2/c1-3-24-18-11-17(19(18)23-2)22-12-15-5-4-14(10-16(15)20)13-6-8-21-9-7-13/h4-10,17-19,22H,3,11-12H2,1-2H3
InChIKeyIXUSRAMZRGBYHG-UHFFFAOYSA-N
XLogP3.17
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-2-methoxycyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-2-methoxycyclobutan-1-amine (CID 154742870) is 3-ethoxy-N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-2-methoxycyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-2-methoxycyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-2-methoxycyclobutan-1-amine is CCOC1CC(NCc2ccc(-c3ccncc3)cc2F)C1OC.
What is the InChIKey of 3-ethoxy-N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-2-methoxycyclobutan-1-amine?
The InChIKey is IXUSRAMZRGBYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-3-24-18-11-17(19(18)23-2)22-12-15-5-4-14(10-16(15)20)13-6-8-21-9-7-13/h4-10,17-19,22H,3,11-12H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-2-methoxycyclobutan-1-amine?
3-ethoxy-N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-2-methoxycyclobutan-1-amine has a molecular weight of 330.40 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-2-methoxycyclobutan-1-amine is sourced from PubChem (CID 154742870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).