1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine

C18H15NOS — CID 105045167

IUPAC1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3csc4ccccc34)cc2c1
InChIInChI=1S/C18H15NOS/c1-11-6-7-15-12(8-11)9-16(20-15)18(19)14-10-21-17-5-3-2-4-13(14)17/h2-10,18H,19H2,1H3
InChIKeyQDLNTDIIPRSEFO-UHFFFAOYSA-N
MW293.39 g/mol
LogP5.00
Rot. Bonds2

About 1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine

1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 105045167) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine
PubChem CID105045167
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3csc4ccccc34)cc2c1
InChIInChI=1S/C18H15NOS/c1-11-6-7-15-12(8-11)9-16(20-15)18(19)14-10-21-17-5-3-2-4-13(14)17/h2-10,18H,19H2,1H3
InChIKeyQDLNTDIIPRSEFO-UHFFFAOYSA-N
XLogP5.00
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.39
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 104990399
(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045351
(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326667
(3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045316
(5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 63993046
(2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105185391
(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326884
1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 55108307
1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103400623
3-[bromo-(2,4-dimethylphenyl)methyl]-1-benzothiophene
CID 63437623
(4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 82971197

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine (CID 105045167) is 1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine is Cc1ccc2oc(C(N)c3csc4ccccc34)cc2c1.
What is the InChIKey of 1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is QDLNTDIIPRSEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c1-11-6-7-15-12(8-11)9-16(20-15)18(19)14-10-21-17-5-3-2-4-13(14)17/h2-10,18H,19H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine?
1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 293.39 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105045167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).