1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine

C10H8Br3NOS — CID 115861591

IUPAC1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)c(Br)s1)c1occc1Br
InChIInChI=1S/C10H8Br3NOS/c1-14-8(9-5(11)2-3-15-9)7-4-6(12)10(13)16-7/h2-4,8,14H,1H3
InChIKeyLYZOXMZWWZSOIT-UHFFFAOYSA-N
MW429.96 g/mol
LogP4.94
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine

1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine (PubChem CID 115861591) has the molecular formula C10H8Br3NOS and a molecular weight of 429.96 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
PubChem CID115861591
Molecular FormulaC10H8Br3NOS
Molecular Weight429.96 g/mol
Exact Mass426.79
IUPAC Name1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)c(Br)s1)c1occc1Br
InChIInChI=1S/C10H8Br3NOS/c1-14-8(9-5(11)2-3-15-9)7-4-6(12)10(13)16-7/h2-4,8,14H,1H3
InChIKeyLYZOXMZWWZSOIT-UHFFFAOYSA-N
XLogP4.94
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.96
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 80533134
(3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol
CID 115800624
1-(4,5-dibromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylmethanamine
CID 114103015
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 80532880
1-(4-tert-butylphenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80534082
(4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 80535252
1-(4,5-dibromothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 80532857
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 80533190
1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 80532956
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745440
N-[(3-bromofuran-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 115861355
1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 114559095

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine (CID 115861591) is 1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine is CNC(c1cc(Br)c(Br)s1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine?
The InChIKey is LYZOXMZWWZSOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br3NOS/c1-14-8(9-5(11)2-3-15-9)7-4-6(12)10(13)16-7/h2-4,8,14H,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine?
1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine has a molecular weight of 429.96 g/mol, XLogP of 4.94, 3 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-(4,5-dibromothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 115861591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).