N-[(7-methyl-1-benzothiophen-2-yl)methyl]ethanamine

C12H15NS — CID 117186457

IUPACN-[(7-methyl-1-benzothiophen-2-yl)methyl]ethanamine
SMILESCCNCc1cc2cccc(C)c2s1
InChIInChI=1S/C12H15NS/c1-3-13-8-11-7-10-6-4-5-9(2)12(10)14-11/h4-7,13H,3,8H2,1-2H3
InChIKeyODNUXFBMEAZTBS-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.32
Rot. Bonds3

About N-[(7-methyl-1-benzothiophen-2-yl)methyl]ethanamine

N-[(7-methyl-1-benzothiophen-2-yl)methyl]ethanamine (PubChem CID 117186457) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is N-[(7-methyl-1-benzothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-methyl-1-benzothiophen-2-yl)methyl]ethanamine
PubChem CID117186457
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC NameN-[(7-methyl-1-benzothiophen-2-yl)methyl]ethanamine
SMILESCCNCc1cc2cccc(C)c2s1
InChIInChI=1S/C12H15NS/c1-3-13-8-11-7-10-6-4-5-9(2)12(10)14-11/h4-7,13H,3,8H2,1-2H3
InChIKeyODNUXFBMEAZTBS-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-1-benzothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(7-methyl-1-benzothiophen-2-yl)methyl]ethanamine (CID 117186457) is N-[(7-methyl-1-benzothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(7-methyl-1-benzothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(7-methyl-1-benzothiophen-2-yl)methyl]ethanamine is CCNCc1cc2cccc(C)c2s1.
What is the InChIKey of N-[(7-methyl-1-benzothiophen-2-yl)methyl]ethanamine?
The InChIKey is ODNUXFBMEAZTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-3-13-8-11-7-10-6-4-5-9(2)12(10)14-11/h4-7,13H,3,8H2,1-2H3.
What are the key properties of N-[(7-methyl-1-benzothiophen-2-yl)methyl]ethanamine?
N-[(7-methyl-1-benzothiophen-2-yl)methyl]ethanamine has a molecular weight of 205.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-1-benzothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 117186457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).