1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine

C13H14BrNO2 — CID 63943412

IUPAC1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1)c1occc1Br
InChIInChI=1S/C13H14BrNO2/c1-15-12(13-11(14)6-7-17-13)9-4-3-5-10(8-9)16-2/h3-8,12,15H,1-2H3
InChIKeyGUNJACAFMJPTDT-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.36
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine

1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine (PubChem CID 63943412) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
PubChem CID63943412
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1)c1occc1Br
InChIInChI=1S/C13H14BrNO2/c1-15-12(13-11(14)6-7-17-13)9-4-3-5-10(8-9)16-2/h3-8,12,15H,1-2H3
InChIKeyGUNJACAFMJPTDT-UHFFFAOYSA-N
XLogP3.36
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63941458
1-(3-bromofuran-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755358
1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 115785773
N-[(2-bromofuran-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 106856912
1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 106691445
N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine
CID 63943224
1-(4-fluoro-3,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 65299487
1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 106857562
[(2-bromophenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105208659
1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 43483809
1-(3-methoxyphenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 62791846
[(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283642

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine (CID 63943412) is 1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine is CNC(c1cccc(OC)c1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is GUNJACAFMJPTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-15-12(13-11(14)6-7-17-13)9-4-3-5-10(8-9)16-2/h3-8,12,15H,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine?
1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 296.16 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 63943412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).