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

C17H15BrFNO — CID 105046064

IUPAC1-(3-bromo-5-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(Br)c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H15BrFNO/c1-10-5-12(7-13(18)6-10)17(20-2)16-9-11-8-14(19)3-4-15(11)21-16/h3-9,17,20H,1-2H3
InChIKeyFEPLKSKXKGOQEQ-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.95
Rot. Bonds3

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

1-(3-bromo-5-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 105046064) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID105046064
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name1-(3-bromo-5-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(Br)c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H15BrFNO/c1-10-5-12(7-13(18)6-10)17(20-2)16-9-11-8-14(19)3-4-15(11)21-16/h3-9,17,20H,1-2H3
InChIKeyFEPLKSKXKGOQEQ-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-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114730411
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 114727892
[(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105338687
1-(3,5-difluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114728139
1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 114728766
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045169
1-(3-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114727544
1-(2-bromo-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 107985443
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114727953
1-(2,3-dimethylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105045995
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 105046222
1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105046105

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine (CID 105046064) is 1-(3-bromo-5-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine is CNC(c1cc(C)cc(Br)c1)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is FEPLKSKXKGOQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO/c1-10-5-12(7-13(18)6-10)17(20-2)16-9-11-8-14(19)3-4-15(11)21-16/h3-9,17,20H,1-2H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
1-(3-bromo-5-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-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-(3-bromo-5-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105046064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).