1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine

C14H13NOS — CID 63991259

IUPAC1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)c1cc2ccccc2o1
InChIInChI=1S/C14H13NOS/c1-9-6-7-17-14(9)13(15)12-8-10-4-2-3-5-11(10)16-12/h2-8,13H,15H2,1H3
InChIKeyJMEFDTFVIGEBTC-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.85
Rot. Bonds2

About 1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine

1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine (PubChem CID 63991259) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine
PubChem CID63991259
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)c1cc2ccccc2o1
InChIInChI=1S/C14H13NOS/c1-9-6-7-17-14(9)13(15)12-8-10-4-2-3-5-11(10)16-12/h2-8,13H,15H2,1H3
InChIKeyJMEFDTFVIGEBTC-UHFFFAOYSA-N
XLogP3.85
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 63993046
1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 60727883
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
CID 63090603
(3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045316
1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 43224186
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881511
1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
CID 105043942
(3-chlorothiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045612
(3-methylthiophen-2-yl)-pyridin-2-ylmethanamine
CID 79989254
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine (CID 63991259) is 1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine is Cc1ccsc1C(N)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine?
The InChIKey is JMEFDTFVIGEBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-9-6-7-17-14(9)13(15)12-8-10-4-2-3-5-11(10)16-12/h2-8,13H,15H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine?
1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine has a molecular weight of 243.33 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 63991259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).