3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-5-amine

C14H14FNO — CID 144911950

IUPAC3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-5-amine
SMILESNC1CCc2occ(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C14H14FNO/c15-10-3-1-9(2-4-10)13-8-17-14-6-5-11(16)7-12(13)14/h1-4,8,11H,5-7,16H2
InChIKeyIIVMAGNQRITEFL-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.90
Rot. Bonds1

About 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-5-amine

3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-5-amine (PubChem CID 144911950) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-5-amine
PubChem CID144911950
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-5-amine
SMILESNC1CCc2occ(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C14H14FNO/c15-10-3-1-9(2-4-10)13-8-17-14-6-5-11(16)7-12(13)14/h1-4,8,11H,5-7,16H2
InChIKeyIIVMAGNQRITEFL-UHFFFAOYSA-N
XLogP2.90
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-5-amine (CID 144911950) is 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-5-amine is NC1CCc2occ(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-5-amine?
The InChIKey is IIVMAGNQRITEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c15-10-3-1-9(2-4-10)13-8-17-14-6-5-11(16)7-12(13)14/h1-4,8,11H,5-7,16H2.
What are the key properties of 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-5-amine?
3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-5-amine has a molecular weight of 231.27 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-5-amine is sourced from PubChem (CID 144911950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).