1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine

C14H11BrFNOS — CID 114728766

IUPAC1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2cc(F)ccc2o1)c1cc(Br)cs1
InChIInChI=1S/C14H11BrFNOS/c1-17-14(13-6-9(15)7-19-13)12-5-8-4-10(16)2-3-11(8)18-12/h2-7,14,17H,1H3
InChIKeyHVBBDHSCXXMBEV-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.70
Rot. Bonds3

About 1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine

1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 114728766) has the molecular formula C14H11BrFNOS and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID114728766
Molecular FormulaC14H11BrFNOS
Molecular Weight340.22 g/mol
Exact Mass338.97
IUPAC Name1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2cc(F)ccc2o1)c1cc(Br)cs1
InChIInChI=1S/C14H11BrFNOS/c1-17-14(13-6-9(15)7-19-13)12-5-8-4-10(16)2-3-11(8)18-12/h2-7,14,17H,1H3
InChIKeyHVBBDHSCXXMBEV-UHFFFAOYSA-N
XLogP4.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105222678
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105046125
1-(3-bromo-5-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105046064
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 105046222
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114730411
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-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045169
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 114727892
1-(2-bromo-5-fluorophenyl)-1-(5-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105045763
(5-bromothiophen-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 105129515
1-(2,3-dimethylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105045995

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine (CID 114728766) is 1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine is CNC(c1cc2cc(F)ccc2o1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is HVBBDHSCXXMBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNOS/c1-17-14(13-6-9(15)7-19-13)12-5-8-4-10(16)2-3-11(8)18-12/h2-7,14,17H,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 340.22 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 114728766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).