N-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine

C11H11BrClNOS — CID 106851640

IUPACN-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)c1ccoc1Br
InChIInChI=1S/C11H11BrClNOS/c1-2-14-10(7-5-6-15-11(7)12)8-3-4-9(13)16-8/h3-6,10,14H,2H2,1H3
InChIKeyFXLGXEZJVLOLQI-UHFFFAOYSA-N
MW320.64 g/mol
LogP4.46
Rot. Bonds4

About N-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine

N-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine (PubChem CID 106851640) has the molecular formula C11H11BrClNOS and a molecular weight of 320.64 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine
PubChem CID106851640
Molecular FormulaC11H11BrClNOS
Molecular Weight320.64 g/mol
Exact Mass318.94
IUPAC NameN-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)c1ccoc1Br
InChIInChI=1S/C11H11BrClNOS/c1-2-14-10(7-5-6-15-11(7)12)8-3-4-9(13)16-8/h3-6,10,14H,2H2,1H3
InChIKeyFXLGXEZJVLOLQI-UHFFFAOYSA-N
XLogP4.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.64
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-methylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81110691
N-[(2-bromofuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106859032
N-[(2-chloro-4,5-dimethylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 115483998
N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 43492027
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492083
N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine
CID 106851857
N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 103394718
N-[(5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 102804284
N-[1-benzothiophen-3-yl-(2-bromofuran-3-yl)methyl]ethanamine
CID 106851643
N-[(4-butan-2-ylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 63507930
N-[(5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105173432

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine (CID 106851640) is N-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(Cl)s1)c1ccoc1Br.
What is the InChIKey of N-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine?
The InChIKey is FXLGXEZJVLOLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNOS/c1-2-14-10(7-5-6-15-11(7)12)8-3-4-9(13)16-8/h3-6,10,14H,2H2,1H3.
What are the key properties of N-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine?
N-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine has a molecular weight of 320.64 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 106851640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).