1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one

C16H19NOS — CID 62051873

IUPAC1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one
SMILESCC(c1cccs1)N(C)CC(=O)Cc1ccccc1
InChIInChI=1S/C16H19NOS/c1-13(16-9-6-10-19-16)17(2)12-15(18)11-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyHABJLNKOEXVHAG-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.55
Rot. Bonds6

About 1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one

1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one (PubChem CID 62051873) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one
PubChem CID62051873
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one
SMILESCC(c1cccs1)N(C)CC(=O)Cc1ccccc1
InChIInChI=1S/C16H19NOS/c1-13(16-9-6-10-19-16)17(2)12-15(18)11-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyHABJLNKOEXVHAG-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
N-methyl-N-(2-phenylethyl)-1-thiophen-2-ylethanamine
CID 78827605
2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 56828599
1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one
CID 54946725
1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone
CID 62052839
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392
3-[methyl(1-thiophen-2-ylethyl)amino]-2-phenylpropanoic acid
CID 63068999
N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 107025959
2-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 61109028
N-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide
CID 51271554
2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51730175

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one?
The IUPAC name of 1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one (CID 62051873) is 1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one?
The canonical SMILES for 1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one is CC(c1cccs1)N(C)CC(=O)Cc1ccccc1.
What is the InChIKey of 1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one?
The InChIKey is HABJLNKOEXVHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-13(16-9-6-10-19-16)17(2)12-15(18)11-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one?
1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one has a molecular weight of 273.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one is sourced from PubChem (CID 62051873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).