N-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine

C15H15NOS — CID 60777708

IUPACN-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CNCc2csc3ccccc23)o1
InChIInChI=1S/C15H15NOS/c1-11-6-7-13(17-11)9-16-8-12-10-18-15-5-3-2-4-14(12)15/h2-7,10,16H,8-9H2,1H3
InChIKeyVRAWFYSVHPDIMB-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.09
Rot. Bonds4

About N-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine

N-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine (PubChem CID 60777708) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
PubChem CID60777708
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CNCc2csc3ccccc23)o1
InChIInChI=1S/C15H15NOS/c1-11-6-7-13(17-11)9-16-8-12-10-18-15-5-3-2-4-14(12)15/h2-7,10,16H,8-9H2,1H3
InChIKeyVRAWFYSVHPDIMB-UHFFFAOYSA-N
XLogP4.09
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 20888278
N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 60704292
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 60704248
2-(1-benzothiophen-3-yl)-1-(5-methylfuran-2-yl)ethanol
CID 65150670
2-(1-benzothiophen-3-ylmethylamino)acetonitrile
CID 115131048
1-(1-benzothiophen-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62848267
2-(1-benzothiophen-3-ylmethylamino)ethanol
CID 60705162
4-[(1-benzothiophen-3-ylmethylamino)methyl]-N,N-dimethylaniline
CID 60704952
3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-benzothiophene-2-carboxylic acid
CID 103249284
N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 62694134
1-benzothiophen-3-ylmethyl 5-methylfuran-2-carboxylate
CID 55886136

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine (CID 60777708) is N-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine is Cc1ccc(CNCc2csc3ccccc23)o1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is VRAWFYSVHPDIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11-6-7-13(17-11)9-16-8-12-10-18-15-5-3-2-4-14(12)15/h2-7,10,16H,8-9H2,1H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine?
N-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 257.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 60777708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).