(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine

C11H11BrClNOS — CID 102827978

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2cc(Br)c(Cl)s2)o1
InChIInChI=1S/C11H11BrClNOS/c1-2-6-3-4-8(15-6)10(14)9-5-7(12)11(13)16-9/h3-5,10H,2,14H2,1H3
InChIKeyVDEAFGLKQJAZOL-UHFFFAOYSA-N
MW320.64 g/mol
LogP4.37
Rot. Bonds3

About (4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine

(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine (PubChem CID 102827978) has the molecular formula C11H11BrClNOS and a molecular weight of 320.64 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine
PubChem CID102827978
Molecular FormulaC11H11BrClNOS
Molecular Weight320.64 g/mol
Exact Mass318.94
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2cc(Br)c(Cl)s2)o1
InChIInChI=1S/C11H11BrClNOS/c1-2-6-3-4-8(15-6)10(14)9-5-7(12)11(13)16-9/h3-5,10H,2,14H2,1H3
InChIKeyVDEAFGLKQJAZOL-UHFFFAOYSA-N
XLogP4.37
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.64
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 102828702
(5-bromothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine
CID 62344791
(4-bromo-3-chlorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 81290852
(4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine
CID 102828065
(3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine
CID 81472297
(3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
CID 107979824
(2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
CID 79095600
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
(2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 62345677
(4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 62344613
(5-ethylfuran-2-yl)-(5-methylfuran-3-yl)methanamine
CID 114820210
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine
CID 102828032

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine (CID 102827978) is (4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine is CCc1ccc(C(N)c2cc(Br)c(Cl)s2)o1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine?
The InChIKey is VDEAFGLKQJAZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNOS/c1-2-6-3-4-8(15-6)10(14)9-5-7(12)11(13)16-9/h3-5,10H,2,14H2,1H3.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine?
(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine has a molecular weight of 320.64 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine is sourced from PubChem (CID 102827978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).