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

C14H14ClNOS — CID 15942449

IUPAC(5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl)methanamine
SMILESCC1(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
InChIKeyQPMQWXXEFPDVQR-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.72
Rot. Bonds2

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

(5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl)methanamine (PubChem CID 15942449) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is (5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl)methanamine
PubChem CID15942449
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name(5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl)methanamine
SMILESCC1(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
InChIKeyQPMQWXXEFPDVQR-UHFFFAOYSA-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 (5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl)methanamine (CID 15942449) is (5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl)methanamine is CC1(CN)Cc2cc(Cl)cc(-c3ccsc3)c2O1.
What is the InChIKey of (5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl)methanamine?
The InChIKey is QPMQWXXEFPDVQR-UHFFFAOYSA-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.
What are the key properties of (5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl)methanamine?
(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 (5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 15942449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).