2-(4-aminophenyl)-2-methyl-1-thiophen-3-ylpropan-1-one

C14H15NOS — CID 116598696

IUPAC2-(4-aminophenyl)-2-methyl-1-thiophen-3-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccsc1)c1ccc(N)cc1
InChIInChI=1S/C14H15NOS/c1-14(2,11-3-5-12(15)6-4-11)13(16)10-7-8-17-9-10/h3-9H,15H2,1-2H3
InChIKeyGGPAQJKOXHVEGI-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.49
Rot. Bonds3

About 2-(4-aminophenyl)-2-methyl-1-thiophen-3-ylpropan-1-one

2-(4-aminophenyl)-2-methyl-1-thiophen-3-ylpropan-1-one (PubChem CID 116598696) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-1-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-1-thiophen-3-ylpropan-1-one
PubChem CID116598696
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2-(4-aminophenyl)-2-methyl-1-thiophen-3-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccsc1)c1ccc(N)cc1
InChIInChI=1S/C14H15NOS/c1-14(2,11-3-5-12(15)6-4-11)13(16)10-7-8-17-9-10/h3-9H,15H2,1-2H3
InChIKeyGGPAQJKOXHVEGI-UHFFFAOYSA-N
XLogP3.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one
CID 5377530
2-Acetyl-3-Amino-5-Phenylthiophene
CID 2807849
3-[(4-Methylphenyl)amino]-1-(2-thienyl)-1-propanone
CID 877310
(2-Amino-5-ethylthiophen-3-yl)-phenylmethanone
CID 827127
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
(E)-3-(4-aminophenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 5336533
3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone
CID 800191
(2-Aminothiophen-3-yl)(phenyl)methanone
CID 644720
3-(4-(Dimethylamino)phenyl)-1-(2-thienyl)-2-propen-1-one
CID 5709353
N-(4-tert-butylphenyl)thiophene-3-carboxamide
CID 2815544
3-[(4-Methylphenyl)amino]-1-(2-thienyl)-2-propen-1-one
CID 2210959
(E)-1-(4-aminophenyl)-3-(5-bromothiophen-2-yl)prop-2-en-1-one
CID 12332122

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-1-thiophen-3-ylpropan-1-one?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-1-thiophen-3-ylpropan-1-one (CID 116598696) is 2-(4-aminophenyl)-2-methyl-1-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-1-thiophen-3-ylpropan-1-one?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-1-thiophen-3-ylpropan-1-one is CC(C)(C(=O)c1ccsc1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-1-thiophen-3-ylpropan-1-one?
The InChIKey is GGPAQJKOXHVEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-14(2,11-3-5-12(15)6-4-11)13(16)10-7-8-17-9-10/h3-9H,15H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-2-methyl-1-thiophen-3-ylpropan-1-one?
2-(4-aminophenyl)-2-methyl-1-thiophen-3-ylpropan-1-one has a molecular weight of 245.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-1-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 116598696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).