1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine

C14H11BrFNO2 — CID 106858731

IUPAC1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2cccc(F)c2o1)c1ccoc1Br
InChIInChI=1S/C14H11BrFNO2/c1-17-12(9-5-6-18-14(9)15)11-7-8-3-2-4-10(16)13(8)19-11/h2-7,12,17H,1H3
InChIKeyAZLGNEKDMYJKHX-UHFFFAOYSA-N
MW324.15 g/mol
LogP4.24
Rot. Bonds3

About 1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine

1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 106858731) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID106858731
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2cccc(F)c2o1)c1ccoc1Br
InChIInChI=1S/C14H11BrFNO2/c1-17-12(9-5-6-18-14(9)15)11-7-8-3-2-4-10(16)13(8)19-11/h2-7,12,17H,1H3
InChIKeyAZLGNEKDMYJKHX-UHFFFAOYSA-N
XLogP4.24
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114730983
1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047461
1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
CID 105048406
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 114728621
1-(5-ethylfuran-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047584
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 114730954
1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106858995
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105186439
1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142543
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 105147059
1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 103444169

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine (CID 106858731) is 1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine is CNC(c1cc2cccc(F)c2o1)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is AZLGNEKDMYJKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c1-17-12(9-5-6-18-14(9)15)11-7-8-3-2-4-10(16)13(8)19-11/h2-7,12,17H,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 324.15 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 106858731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).