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

C17H15BrFNO — CID 105142543

IUPAC1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc2cccc(Br)c2o1)c1cc(F)ccc1C
InChIInChI=1S/C17H15BrFNO/c1-10-6-7-12(19)9-13(10)16(20-2)15-8-11-4-3-5-14(18)17(11)21-15/h3-9,16,20H,1-2H3
InChIKeyQCAXAKCWUWGKQR-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.95
Rot. Bonds3

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

1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine (PubChem CID 105142543) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
PubChem CID105142543
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc2cccc(Br)c2o1)c1cc(F)ccc1C
InChIInChI=1S/C17H15BrFNO/c1-10-6-7-12(19)9-13(10)16(20-2)15-8-11-4-3-5-14(18)17(11)21-15/h3-9,16,20H,1-2H3
InChIKeyQCAXAKCWUWGKQR-UHFFFAOYSA-N
XLogP4.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102840358
1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 105097290
(7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 105093821
1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047461
1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 105147059
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 105162184
1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105048549
1-(2-bromo-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 107985443
1-(7-chloro-1-benzofuran-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105048530
(2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045635
1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
CID 105048406
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122296

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine (CID 105142543) is 1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine is CNC(c1cc2cccc(Br)c2o1)c1cc(F)ccc1C.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The InChIKey is QCAXAKCWUWGKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO/c1-10-6-7-12(19)9-13(10)16(20-2)15-8-11-4-3-5-14(18)17(11)21-15/h3-9,16,20H,1-2H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine has a molecular weight of 348.22 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105142543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).