(4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine

C15H11ClFNO — CID 114321381

IUPAC(4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)c1cc2c(Cl)cccc2o1
InChIInChI=1S/C15H11ClFNO/c16-12-2-1-3-13-11(12)8-14(19-13)15(18)9-4-6-10(17)7-5-9/h1-8,15H,18H2
InChIKeyVNQSNGLBYCLRJZ-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.27
Rot. Bonds2

About (4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine

(4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine (PubChem CID 114321381) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is (4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
PubChem CID114321381
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name(4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)c1cc2c(Cl)cccc2o1
InChIInChI=1S/C15H11ClFNO/c16-12-2-1-3-13-11(12)8-14(19-13)15(18)9-4-6-10(17)7-5-9/h1-8,15H,18H2
InChIKeyVNQSNGLBYCLRJZ-UHFFFAOYSA-N
XLogP4.27
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 114321372
(4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine
CID 114321349
(4-chloro-1-benzofuran-2-yl)-(2-chloro-4-fluorophenyl)methanamine
CID 114321348
4-[amino-(4-chloro-1-benzofuran-2-yl)methyl]benzonitrile
CID 114321373
(4-chloro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 113277074
(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727555
(4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 106758771
(3,4-dichlorophenyl)-(4-fluorophenyl)methanamine
CID 43184820
bis(4-fluorophenyl)methanamine
CID 10955039
(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 112614615
(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114728550
2-(4-chloro-1-benzofuran-2-yl)propan-1-amine
CID 117119913

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine?
The IUPAC name of (4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine (CID 114321381) is (4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine.
What is the SMILES notation for (4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine?
The canonical SMILES for (4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine is NC(c1ccc(F)cc1)c1cc2c(Cl)cccc2o1.
What is the InChIKey of (4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine?
The InChIKey is VNQSNGLBYCLRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-12-2-1-3-13-11(12)8-14(19-13)15(18)9-4-6-10(17)7-5-9/h1-8,15H,18H2.
What are the key properties of (4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine?
(4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine has a molecular weight of 275.71 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine is sourced from PubChem (CID 114321381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).