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

C12H10Br2FNO — CID 114894776

IUPAC1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)ccc1F)c1occc1Br
InChIInChI=1S/C12H10Br2FNO/c1-16-11(12-9(14)4-5-17-12)8-6-7(13)2-3-10(8)15/h2-6,11,16H,1H3
InChIKeyTYLRFLPPUSVNGQ-UHFFFAOYSA-N
MW363.02 g/mol
LogP4.25
Rot. Bonds3

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

1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine (PubChem CID 114894776) has the molecular formula C12H10Br2FNO and a molecular weight of 363.02 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine
PubChem CID114894776
Molecular FormulaC12H10Br2FNO
Molecular Weight363.02 g/mol
Exact Mass360.91
IUPAC Name1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)ccc1F)c1occc1Br
InChIInChI=1S/C12H10Br2FNO/c1-16-11(12-9(14)4-5-17-12)8-6-7(13)2-3-10(8)15/h2-6,11,16H,1H3
InChIKeyTYLRFLPPUSVNGQ-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

[(5-bromo-2-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine
CID 105280775
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789896
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302180
1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483186
1-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methylphenyl)-N-methylmethanamine
CID 105011744
1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 64714519
1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63941458
1-(5-bromo-2-fluorophenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
CID 65279234
4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline
CID 105263648
1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 62079579
1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43480054

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine (CID 114894776) is 1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine is CNC(c1cc(Br)ccc1F)c1occc1Br.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine?
The InChIKey is TYLRFLPPUSVNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2FNO/c1-16-11(12-9(14)4-5-17-12)8-6-7(13)2-3-10(8)15/h2-6,11,16H,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine?
1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-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-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 114894776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).