2-(2-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride

C14H14ClNOS — CID 117048927

IUPAC2-(2-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
SMILESCC(Cc1cccs1)(C(=O)Cl)c1ccccc1N
InChIInChI=1S/C14H14ClNOS/c1-14(13(15)17,9-10-5-4-8-18-10)11-6-2-3-7-12(11)16/h2-8H,9,16H2,1H3
InChIKeyMRZYVLRDNBYXGU-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.60
Rot. Bonds4

About 2-(2-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride

2-(2-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride (PubChem CID 117048927) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 2-(2-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride.

Molecular Properties

Compound Name2-(2-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
PubChem CID117048927
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name2-(2-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
SMILESCC(Cc1cccs1)(C(=O)Cl)c1ccccc1N
InChIInChI=1S/C14H14ClNOS/c1-14(13(15)17,9-10-5-4-8-18-10)11-6-2-3-7-12(11)16/h2-8H,9,16H2,1H3
InChIKeyMRZYVLRDNBYXGU-UHFFFAOYSA-N
XLogP3.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(2-Aminophenyl)-4-chlorothiophen-2-yl]ethanone
CID 134858286
2-(2-Amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
CID 117048926
2-(6-Amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
CID 117048928
2-(4-Amino-2-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
CID 117048930
1-(2-Azidophenyl)-1-thiophen-3-ylpropan-2-one
CID 174919653
1-(2-Azidophenyl)-3-thiophen-3-ylpropan-2-one
CID 174919654
2-[5-(2-Aminophenyl)thiophen-2-yl]propanal
CID 175252130
(3-Amino-2-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531475
(3-Amino-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531777
2-(4-Aminophenyl)-3-thiophen-2-ylpropanamide
CID 82020971
(3-Amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102765188
2-(4-Aminophenyl)-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one
CID 107361524

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The IUPAC name of 2-(2-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride (CID 117048927) is 2-(2-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride.
What is the SMILES notation for 2-(2-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The canonical SMILES for 2-(2-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride is CC(Cc1cccs1)(C(=O)Cl)c1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The InChIKey is MRZYVLRDNBYXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-14(13(15)17,9-10-5-4-8-18-10)11-6-2-3-7-12(11)16/h2-8H,9,16H2,1H3.
What are the key properties of 2-(2-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
2-(2-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride has a molecular weight of 279.79 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride is sourced from PubChem (CID 117048927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).