N-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine

C16H17NS2 — CID 102840880

IUPACN-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2s1)c1ccsc1C
InChIInChI=1S/C16H17NS2/c1-3-17-16(13-8-9-18-11(13)2)15-10-12-6-4-5-7-14(12)19-15/h4-10,16-17H,3H2,1-2H3
InChIKeyCLHHJJWPRNRVJN-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.97
Rot. Bonds4

About N-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine

N-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 102840880) has the molecular formula C16H17NS2 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine
PubChem CID102840880
Molecular FormulaC16H17NS2
Molecular Weight287.45 g/mol
Exact Mass287.08
IUPAC NameN-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2s1)c1ccsc1C
InChIInChI=1S/C16H17NS2/c1-3-17-16(13-8-9-18-11(13)2)15-10-12-6-4-5-7-14(12)19-15/h4-10,16-17H,3H2,1-2H3
InChIKeyCLHHJJWPRNRVJN-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851962
N-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 63507972
N-[1-benzothiophen-2-yl-(5-bromo-4-chlorothiophen-2-yl)methyl]ethanamine
CID 80531171
N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
CID 105099912
N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 114033835
N-[1-benzothiophen-2-yl-(3-bromo-4-fluorophenyl)methyl]ethanamine
CID 79722957
N-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 115793012
1-(1-benzothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 61407065
N-[(2-methylthiophen-3-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 102841738
N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102842041
N-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine
CID 102827553
N-[1-benzothiophen-2-yl-(4-bromo-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105054206

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine (CID 102840880) is N-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1cc2ccccc2s1)c1ccsc1C.
What is the InChIKey of N-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is CLHHJJWPRNRVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS2/c1-3-17-16(13-8-9-18-11(13)2)15-10-12-6-4-5-7-14(12)19-15/h4-10,16-17H,3H2,1-2H3.
What are the key properties of N-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine?
N-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 102840880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).