2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone

C17H21NOS — CID 60650562

IUPAC2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CN(C)Cc2cccs2)cc1
InChIInChI=1S/C17H21NOS/c1-3-5-14-7-9-15(10-8-14)17(19)13-18(2)12-16-6-4-11-20-16/h4,6-11H,3,5,12-13H2,1-2H3
InChIKeyBCFDVZBCKBQODJ-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.02
Rot. Bonds7

About 2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone

2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone (PubChem CID 60650562) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
PubChem CID60650562
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CN(C)Cc2cccs2)cc1
InChIInChI=1S/C17H21NOS/c1-3-5-14-7-9-15(10-8-14)17(19)13-18(2)12-16-6-4-11-20-16/h4,6-11H,3,5,12-13H2,1-2H3
InChIKeyBCFDVZBCKBQODJ-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650537
1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62053358
1-(3,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485875
1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 112708944
2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone
CID 112661909
1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one
CID 60692557
1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62050817
1-(2-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650482
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512951
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512957

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone?
The IUPAC name of 2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone (CID 60650562) is 2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone is CCCc1ccc(C(=O)CN(C)Cc2cccs2)cc1.
What is the InChIKey of 2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone?
The InChIKey is BCFDVZBCKBQODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-3-5-14-7-9-15(10-8-14)17(19)13-18(2)12-16-6-4-11-20-16/h4,6-11H,3,5,12-13H2,1-2H3.
What are the key properties of 2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone?
2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone has a molecular weight of 287.43 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone is sourced from PubChem (CID 60650562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).