[1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-yl]methanamine

C15H14FNO — CID 18761816

IUPAC[1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-yl]methanamine
SMILESNCc1ccc2c(c1)COC2c1ccc(F)cc1
InChIInChI=1S/C15H14FNO/c16-13-4-2-11(3-5-13)15-14-6-1-10(8-17)7-12(14)9-18-15/h1-7,15H,8-9,17H2
InChIKeyULHAYYQQMCXNET-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.90
Rot. Bonds2

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

[1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-yl]methanamine (PubChem CID 18761816) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-yl]methanamine.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-yl]methanamine
PubChem CID18761816
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name[1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-yl]methanamine
SMILESNCc1ccc2c(c1)COC2c1ccc(F)cc1
InChIInChI=1S/C15H14FNO/c16-13-4-2-11(3-5-13)15-14-6-1-10(8-17)7-12(14)9-18-15/h1-7,15H,8-9,17H2
InChIKeyULHAYYQQMCXNET-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-yl]methanamine?
The IUPAC name of [1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-yl]methanamine (CID 18761816) is [1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-yl]methanamine.
What is the SMILES notation for [1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-yl]methanamine?
The canonical SMILES for [1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-yl]methanamine is NCc1ccc2c(c1)COC2c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-yl]methanamine?
The InChIKey is ULHAYYQQMCXNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-13-4-2-11(3-5-13)15-14-6-1-10(8-17)7-12(14)9-18-15/h1-7,15H,8-9,17H2.
What are the key properties of [1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-yl]methanamine?
[1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-yl]methanamine has a molecular weight of 243.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-yl]methanamine is sourced from PubChem (CID 18761816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).