1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine

C12H10Br2FNS — CID 106647686

IUPAC1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1csc(Br)c1)c1cccc(Br)c1F
InChIInChI=1S/C12H10Br2FNS/c1-16-12(7-5-10(14)17-6-7)8-3-2-4-9(13)11(8)15/h2-6,12,16H,1H3
InChIKeyGCTUQLRISJUJTP-UHFFFAOYSA-N
MW379.09 g/mol
LogP4.72
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine

1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine (PubChem CID 106647686) has the molecular formula C12H10Br2FNS and a molecular weight of 379.09 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
PubChem CID106647686
Molecular FormulaC12H10Br2FNS
Molecular Weight379.09 g/mol
Exact Mass376.89
IUPAC Name1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1csc(Br)c1)c1cccc(Br)c1F
InChIInChI=1S/C12H10Br2FNS/c1-16-12(7-5-10(14)17-6-7)8-3-2-4-9(13)11(8)15/h2-6,12,16H,1H3
InChIKeyGCTUQLRISJUJTP-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.09
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094830
1-(3-bromo-2-fluorophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine
CID 107953374
1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106645505
1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 107953458
1-(3-bromo-2-fluorophenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 107950854
1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105172538
1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine
CID 106645604
[(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 106649932
1-(5-bromothiophen-3-yl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107961080
1-(3-bromo-2-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 106647705
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
CID 107953930
1-(3-bromo-2-fluorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107950500

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine (CID 106647686) is 1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine is CNC(c1csc(Br)c1)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine?
The InChIKey is GCTUQLRISJUJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2FNS/c1-16-12(7-5-10(14)17-6-7)8-3-2-4-9(13)11(8)15/h2-6,12,16H,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine?
1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine has a molecular weight of 379.09 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 106647686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).