[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylmorpholin-2-yl]methanamine

C15H21FN2O2 — CID 81216887

IUPAC[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylmorpholin-2-yl]methanamine
SMILESCC1COC(CN)CN1CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H21FN2O2/c1-10-9-19-14(6-17)8-18(10)7-13-5-11-4-12(16)2-3-15(11)20-13/h2-4,10,13-14H,5-9,17H2,1H3
InChIKeySKDTYUGPNRAZID-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.18
Rot. Bonds3

About [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylmorpholin-2-yl]methanamine

[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylmorpholin-2-yl]methanamine (PubChem CID 81216887) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylmorpholin-2-yl]methanamine
PubChem CID81216887
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylmorpholin-2-yl]methanamine
SMILESCC1COC(CN)CN1CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H21FN2O2/c1-10-9-19-14(6-17)8-18(10)7-13-5-11-4-12(16)2-3-15(11)20-13/h2-4,10,13-14H,5-9,17H2,1H3
InChIKeySKDTYUGPNRAZID-UHFFFAOYSA-N
XLogP1.18
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylmorpholin-2-yl]methanamine?
The IUPAC name of [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylmorpholin-2-yl]methanamine (CID 81216887) is [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylmorpholin-2-yl]methanamine is CC1COC(CN)CN1CC1Cc2cc(F)ccc2O1.
What is the InChIKey of [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylmorpholin-2-yl]methanamine?
The InChIKey is SKDTYUGPNRAZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-9-19-14(6-17)8-18(10)7-13-5-11-4-12(16)2-3-15(11)20-13/h2-4,10,13-14H,5-9,17H2,1H3.
What are the key properties of [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylmorpholin-2-yl]methanamine?
[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylmorpholin-2-yl]methanamine has a molecular weight of 280.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 81216887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).