1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine

C11H11BrClNOS — CID 115841556

IUPAC1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)s1)c1ccc(Br)o1
InChIInChI=1S/C11H11BrClNOS/c1-14-8(9-3-4-10(12)15-9)6-7-2-5-11(13)16-7/h2-5,8,14H,6H2,1H3
InChIKeySFXDFUUZGDWQOT-UHFFFAOYSA-N
MW320.64 g/mol
LogP4.26
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine

1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine (PubChem CID 115841556) has the molecular formula C11H11BrClNOS and a molecular weight of 320.64 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
PubChem CID115841556
Molecular FormulaC11H11BrClNOS
Molecular Weight320.64 g/mol
Exact Mass318.94
IUPAC Name1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)s1)c1ccc(Br)o1
InChIInChI=1S/C11H11BrClNOS/c1-14-8(9-3-4-10(12)15-9)6-7-2-5-11(13)16-7/h2-5,8,14H,6H2,1H3
InChIKeySFXDFUUZGDWQOT-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine
CID 61066395
[2-(5-chlorothiophen-2-yl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105295997
[1-(5-bromofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105296487
2-(5-chlorothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 115841555
2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789911
1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 114886081
1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103042976
2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 55095022
1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051069
2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115841423
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 115841626
1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 105031463

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine (CID 115841556) is 1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine is CNC(Cc1ccc(Cl)s1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine?
The InChIKey is SFXDFUUZGDWQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNOS/c1-14-8(9-3-4-10(12)15-9)6-7-2-5-11(13)16-7/h2-5,8,14H,6H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine?
1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine has a molecular weight of 320.64 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 115841556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).