1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine

C12H10Br2FNO — CID 106858995

IUPAC1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
SMILESCNC(c1ccoc1Br)c1cccc(Br)c1F
InChIInChI=1S/C12H10Br2FNO/c1-16-11(8-5-6-17-12(8)14)7-3-2-4-9(13)10(7)15/h2-6,11,16H,1H3
InChIKeyJVCGBTASBFPESW-UHFFFAOYSA-N
MW363.02 g/mol
LogP4.25
Rot. Bonds3

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

1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine (PubChem CID 106858995) has the molecular formula C12H10Br2FNO and a molecular weight of 363.02 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
PubChem CID106858995
Molecular FormulaC12H10Br2FNO
Molecular Weight363.02 g/mol
Exact Mass360.91
IUPAC Name1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
SMILESCNC(c1ccoc1Br)c1cccc(Br)c1F
InChIInChI=1S/C12H10Br2FNO/c1-16-11(8-5-6-17-12(8)14)7-3-2-4-9(13)10(7)15/h2-6,11,16H,1H3
InChIKeyJVCGBTASBFPESW-UHFFFAOYSA-N
XLogP4.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.02
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 106648191
1-(3-bromo-2-fluorophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine
CID 107953374
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
CID 107953930
1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 106857490
1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
CID 106645563
1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106645505
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106852003
1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 106858731
1-(3-bromo-2-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 106647590
1-(3-bromo-2-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 106647705
1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 64714519
1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine
CID 106851546

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine (CID 106858995) is 1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine is CNC(c1ccoc1Br)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine?
The InChIKey is JVCGBTASBFPESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2FNO/c1-16-11(8-5-6-17-12(8)14)7-3-2-4-9(13)10(7)15/h2-6,11,16H,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine?
1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine has a molecular weight of 363.02 g/mol, XLogP of 4.25, 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-(2-bromofuran-3-yl)-N-methylmethanamine is sourced from PubChem (CID 106858995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).