(2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine

C16H13F2NO2 — CID 61263642

IUPAC(2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine
SMILESCOc1ccc2cc(C(N)c3ccc(F)cc3F)oc2c1
InChIInChI=1S/C16H13F2NO2/c1-20-11-4-2-9-6-15(21-14(9)8-11)16(19)12-5-3-10(17)7-13(12)18/h2-8,16H,19H2,1H3
InChIKeyFBIPSFJGRPAKOH-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.77
Rot. Bonds3

About (2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine

(2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine (PubChem CID 61263642) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine
PubChem CID61263642
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name(2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine
SMILESCOc1ccc2cc(C(N)c3ccc(F)cc3F)oc2c1
InChIInChI=1S/C16H13F2NO2/c1-20-11-4-2-9-6-15(21-14(9)8-11)16(19)12-5-3-10(17)7-13(12)18/h2-8,16H,19H2,1H3
InChIKeyFBIPSFJGRPAKOH-UHFFFAOYSA-N
XLogP3.77
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine?
The IUPAC name of (2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine (CID 61263642) is (2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine is COc1ccc2cc(C(N)c3ccc(F)cc3F)oc2c1.
What is the InChIKey of (2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine?
The InChIKey is FBIPSFJGRPAKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c1-20-11-4-2-9-6-15(21-14(9)8-11)16(19)12-5-3-10(17)7-13(12)18/h2-8,16H,19H2,1H3.
What are the key properties of (2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine?
(2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine has a molecular weight of 289.28 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 61263642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).