1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine

C17H17BrFNO — CID 104541765

IUPAC1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1C)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C17H17BrFNO/c1-10-3-4-13(19)9-14(10)16(20-2)15-8-12(18)7-11-5-6-21-17(11)15/h3-4,7-9,16,20H,5-6H2,1-2H3
InChIKeyTZBOKPAGTZABAF-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.14
Rot. Bonds3

About 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine (PubChem CID 104541765) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
PubChem CID104541765
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1C)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C17H17BrFNO/c1-10-3-4-13(19)9-14(10)16(20-2)15-8-12(18)7-11-5-6-21-17(11)15/h3-4,7-9,16,20H,5-6H2,1-2H3
InChIKeyTZBOKPAGTZABAF-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-bromo-5-fluorophenyl)-N-methylmethanamine
CID 104541688
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 104541674
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
CID 104541780
5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543622
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-bromo-2-methylphenyl)methanol
CID 104543001
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 104541669
1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 107998913
5-bromo-7-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543484
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol
CID 104542859
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989956
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
1-(4-bromo-2-methylphenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053222

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine (CID 104541765) is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine is CNC(c1cc(F)ccc1C)c1cc(Br)cc2c1OCC2.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The InChIKey is TZBOKPAGTZABAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-10-3-4-13(19)9-14(10)16(20-2)15-8-12(18)7-11-5-6-21-17(11)15/h3-4,7-9,16,20H,5-6H2,1-2H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine has a molecular weight of 350.23 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 104541765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).