[2-[(4-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine

C16H14FNO2 — CID 62453969

IUPAC[2-[(4-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
SMILESNCc1c(COc2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C16H14FNO2/c17-11-5-7-12(8-6-11)19-10-16-14(9-18)13-3-1-2-4-15(13)20-16/h1-8H,9-10,18H2
InChIKeyDAYAPFZITFPGHQ-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.61
Rot. Bonds4

About [2-[(4-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine

[2-[(4-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine (PubChem CID 62453969) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is [2-[(4-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
PubChem CID62453969
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name[2-[(4-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
SMILESNCc1c(COc2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C16H14FNO2/c17-11-5-7-12(8-6-11)19-10-16-14(9-18)13-3-1-2-4-15(13)20-16/h1-8H,9-10,18H2
InChIKeyDAYAPFZITFPGHQ-UHFFFAOYSA-N
XLogP3.61
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine?
The IUPAC name of [2-[(4-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine (CID 62453969) is [2-[(4-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for [2-[(4-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine?
The canonical SMILES for [2-[(4-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine is NCc1c(COc2ccc(F)cc2)oc2ccccc12.
What is the InChIKey of [2-[(4-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine?
The InChIKey is DAYAPFZITFPGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-11-5-7-12(8-6-11)19-10-16-14(9-18)13-3-1-2-4-15(13)20-16/h1-8H,9-10,18H2.
What are the key properties of [2-[(4-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine?
[2-[(4-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine has a molecular weight of 271.29 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 62453969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).