(6-fluoro-2-phenyl-3H-1-benzofuran-2-yl)methanamine

C15H14FNO — CID 117045826

IUPAC(6-fluoro-2-phenyl-3H-1-benzofuran-2-yl)methanamine
SMILESNCC1(c2ccccc2)Cc2ccc(F)cc2O1
InChIInChI=1S/C15H14FNO/c16-13-7-6-11-9-15(10-17,18-14(11)8-13)12-4-2-1-3-5-12/h1-8H,9-10,17H2
InChIKeyUVYFQTCQWHNLGA-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.61
Rot. Bonds2

About (6-fluoro-2-phenyl-3H-1-benzofuran-2-yl)methanamine

(6-fluoro-2-phenyl-3H-1-benzofuran-2-yl)methanamine (PubChem CID 117045826) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is (6-fluoro-2-phenyl-3H-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(6-fluoro-2-phenyl-3H-1-benzofuran-2-yl)methanamine
PubChem CID117045826
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name(6-fluoro-2-phenyl-3H-1-benzofuran-2-yl)methanamine
SMILESNCC1(c2ccccc2)Cc2ccc(F)cc2O1
InChIInChI=1S/C15H14FNO/c16-13-7-6-11-9-15(10-17,18-14(11)8-13)12-4-2-1-3-5-12/h1-8H,9-10,17H2
InChIKeyUVYFQTCQWHNLGA-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-phenyl-3H-1-benzofuran-2-yl)methanamine?
The IUPAC name of (6-fluoro-2-phenyl-3H-1-benzofuran-2-yl)methanamine (CID 117045826) is (6-fluoro-2-phenyl-3H-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (6-fluoro-2-phenyl-3H-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (6-fluoro-2-phenyl-3H-1-benzofuran-2-yl)methanamine is NCC1(c2ccccc2)Cc2ccc(F)cc2O1.
What is the InChIKey of (6-fluoro-2-phenyl-3H-1-benzofuran-2-yl)methanamine?
The InChIKey is UVYFQTCQWHNLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-13-7-6-11-9-15(10-17,18-14(11)8-13)12-4-2-1-3-5-12/h1-8H,9-10,17H2.
What are the key properties of (6-fluoro-2-phenyl-3H-1-benzofuran-2-yl)methanamine?
(6-fluoro-2-phenyl-3H-1-benzofuran-2-yl)methanamine has a molecular weight of 243.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-phenyl-3H-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 117045826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).