(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine

C15H11BrFNO — CID 114727611

IUPAC(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
SMILESNC(c1cccc(Br)c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H11BrFNO/c16-11-3-1-2-9(6-11)15(18)14-8-10-7-12(17)4-5-13(10)19-14/h1-8,15H,18H2
InChIKeyMFNAXNGABDTOSS-UHFFFAOYSA-N
MW320.16 g/mol
LogP4.38
Rot. Bonds2

About (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine

(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 114727611) has the molecular formula C15H11BrFNO and a molecular weight of 320.16 g/mol. Its IUPAC name is (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID114727611
Molecular FormulaC15H11BrFNO
Molecular Weight320.16 g/mol
Exact Mass319.00
IUPAC Name(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
SMILESNC(c1cccc(Br)c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H11BrFNO/c16-11-3-1-2-9(6-11)15(18)14-8-10-7-12(17)4-5-13(10)19-14/h1-8,15H,18H2
InChIKeyMFNAXNGABDTOSS-UHFFFAOYSA-N
XLogP4.38
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046089
(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727555
(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114728550
[(5-fluoro-1-benzofuran-2-yl)-(3-fluorophenyl)methyl]hydrazine
CID 105193194
1,3-benzodioxol-5-yl-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 107699812
(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 112614663
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105046046
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 105046236
(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
CID 66423670
(5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine
CID 105046202
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114724999
[(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105338683

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine (CID 114727611) is (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine is NC(c1cccc(Br)c1)c1cc2cc(F)ccc2o1.
What is the InChIKey of (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is MFNAXNGABDTOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO/c16-11-3-1-2-9(6-11)15(18)14-8-10-7-12(17)4-5-13(10)19-14/h1-8,15H,18H2.
What are the key properties of (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine has a molecular weight of 320.16 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114727611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).