1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine

C18H20FNO2 — CID 68961482

IUPAC1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCC1Cc2cc(F)cc(-c3cc(C)ccc3OC)c2O1
InChIInChI=1S/C18H20FNO2/c1-11-4-5-17(21-3)15(6-11)16-9-13(19)7-12-8-14(10-20-2)22-18(12)16/h4-7,9,14,20H,8,10H2,1-3H3
InChIKeyBFTUHSDAQRNRKV-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.33
Rot. Bonds4

About 1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine

1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine (PubChem CID 68961482) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
PubChem CID68961482
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCC1Cc2cc(F)cc(-c3cc(C)ccc3OC)c2O1
InChIInChI=1S/C18H20FNO2/c1-11-4-5-17(21-3)15(6-11)16-9-13(19)7-12-8-14(10-20-2)22-18(12)16/h4-7,9,14,20H,8,10H2,1-3H3
InChIKeyBFTUHSDAQRNRKV-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine (CID 68961482) is 1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine is CNCC1Cc2cc(F)cc(-c3cc(C)ccc3OC)c2O1.
What is the InChIKey of 1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The InChIKey is BFTUHSDAQRNRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-11-4-5-17(21-3)15(6-11)16-9-13(19)7-12-8-14(10-20-2)22-18(12)16/h4-7,9,14,20H,8,10H2,1-3H3.
What are the key properties of 1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine has a molecular weight of 301.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 68961482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).