(4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine

C15H12BrClFNO — CID 104545223

IUPAC(4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
SMILESNC(c1ccc(Br)c(F)c1)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H12BrClFNO/c16-12-2-1-8(6-13(12)18)14(19)11-7-10(17)5-9-3-4-20-15(9)11/h1-2,5-7,14H,3-4,19H2
InChIKeyOIEGYTVERNJBQA-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.22
Rot. Bonds2

About (4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine

(4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine (PubChem CID 104545223) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
PubChem CID104545223
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC Name(4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
SMILESNC(c1ccc(Br)c(F)c1)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H12BrClFNO/c16-12-2-1-8(6-13(12)18)14(19)11-7-10(17)5-9-3-4-20-15(9)11/h1-2,5-7,14H,3-4,19H2
InChIKeyOIEGYTVERNJBQA-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 107987609
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfanylphenyl)methanamine
CID 104545238
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine
CID 104545363
5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543764
7-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 114560746
7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 107992197
(4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
CID 104543168
(4-bromo-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545787
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-chlorophenyl)ethanamine
CID 104545138
1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 104545501
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 104545305
5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543561

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine?
The IUPAC name of (4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine (CID 104545223) is (4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine is NC(c1ccc(Br)c(F)c1)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine?
The InChIKey is OIEGYTVERNJBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c16-12-2-1-8(6-13(12)18)14(19)11-7-10(17)5-9-3-4-20-15(9)11/h1-2,5-7,14H,3-4,19H2.
What are the key properties of (4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine?
(4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine has a molecular weight of 356.62 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine is sourced from PubChem (CID 104545223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).