N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine

C12H15NS — CID 117185619

IUPACN-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine
SMILESCCNCc1csc2cc(C)ccc12
InChIInChI=1S/C12H15NS/c1-3-13-7-10-8-14-12-6-9(2)4-5-11(10)12/h4-6,8,13H,3,7H2,1-2H3
InChIKeyKACIITDJVPZKAL-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.32
Rot. Bonds3

About N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine

N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine (PubChem CID 117185619) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine
PubChem CID117185619
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC NameN-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine
SMILESCCNCc1csc2cc(C)ccc12
InChIInChI=1S/C12H15NS/c1-3-13-7-10-8-14-12-6-9(2)4-5-11(10)12/h4-6,8,13H,3,7H2,1-2H3
InChIKeyKACIITDJVPZKAL-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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Related Compounds

3-ethyl-6-methyl-1-benzothiophene
CID 142026591
methyl 2-(6-methyl-1-benzothiophen-3-yl)acetate
CID 58828756
3-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene
CID 117185621
3-(6-methyl-1-benzothiophen-3-yl)propanoic acid
CID 57310358
1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine
CID 117185593
6-methyl-3-(propan-2-ylsulfonylmethyl)-1-benzothiophene
CID 117185600
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
N-(1-benzothiophen-3-ylmethyl)-2,4-dimethylaniline
CID 63418099
6-methyl-1-benzothiophene-3-carbaldehyde
CID 82374207
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
3-(methylaminomethyl)-1-benzothiophen-6-amine
CID 117178025

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine (CID 117185619) is N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine is CCNCc1csc2cc(C)ccc12.
What is the InChIKey of N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine?
The InChIKey is KACIITDJVPZKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-3-13-7-10-8-14-12-6-9(2)4-5-11(10)12/h4-6,8,13H,3,7H2,1-2H3.
What are the key properties of N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine?
N-[(6-methyl-1-benzothiophen-3-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-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 117185619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).