[(2R)-5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl]methanamine

C14H14ClNOS — CID 129364417

IUPAC[(2R)-5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl]methanamine
SMILESC[C@]1(CN)Cc2cc(Cl)cc(-c3ccsc3)c2O1
InChIInChI=1S/C14H14ClNOS/c1-14(8-16)6-10-4-11(15)5-12(13(10)17-14)9-2-3-18-7-9/h2-5,7H,6,8,16H2,1H3/t14-/m1/s1
InChIKeyQPMQWXXEFPDVQR-CQSZACIVSA-N
MW279.79 g/mol
LogP3.72
Rot. Bonds2

About [(2R)-5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl]methanamine

[(2R)-5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl]methanamine (PubChem CID 129364417) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is [(2R)-5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl]methanamine
PubChem CID129364417
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name[(2R)-5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl]methanamine
SMILESC[C@]1(CN)Cc2cc(Cl)cc(-c3ccsc3)c2O1
InChIInChI=1S/C14H14ClNOS/c1-14(8-16)6-10-4-11(15)5-12(13(10)17-14)9-2-3-18-7-9/h2-5,7H,6,8,16H2,1H3/t14-/m1/s1
InChIKeyQPMQWXXEFPDVQR-CQSZACIVSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl]methanamine (CID 129364417) is [(2R)-5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl]methanamine is C[C@]1(CN)Cc2cc(Cl)cc(-c3ccsc3)c2O1.
What is the InChIKey of [(2R)-5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl]methanamine?
The InChIKey is QPMQWXXEFPDVQR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-14(8-16)6-10-4-11(15)5-12(13(10)17-14)9-2-3-18-7-9/h2-5,7H,6,8,16H2,1H3/t14-/m1/s1.
What are the key properties of [(2R)-5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl]methanamine?
[(2R)-5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl]methanamine has a molecular weight of 279.79 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 129364417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).