3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride

C16H21ClN2OS — CID 120609150

IUPAC3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
SMILESCC(c1cccs1)N(C)C(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C16H20N2OS.ClH/c1-12(15-8-5-11-20-15)18(2)16(19)10-9-13-6-3-4-7-14(13)17;/h3-8,11-12H,9-10,17H2,1-2H3;1H
InChIKeyZIOLFNWVRACBMO-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.90
Rot. Bonds5

About 3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride

3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride (PubChem CID 120609150) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
PubChem CID120609150
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
SMILESCC(c1cccs1)N(C)C(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C16H20N2OS.ClH/c1-12(15-8-5-11-20-15)18(2)16(19)10-9-13-6-3-4-7-14(13)17;/h3-8,11-12H,9-10,17H2,1-2H3;1H
InChIKeyZIOLFNWVRACBMO-UHFFFAOYSA-N
XLogP3.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.90
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

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N-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide
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(2R)-2-amino-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
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3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
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3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide
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3-(2-aminophenyl)-N-methyl-N-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride (CID 120609150) is 3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride is CC(c1cccs1)N(C)C(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride?
The InChIKey is ZIOLFNWVRACBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS.ClH/c1-12(15-8-5-11-20-15)18(2)16(19)10-9-13-6-3-4-7-14(13)17;/h3-8,11-12H,9-10,17H2,1-2H3;1H.
What are the key properties of 3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride has a molecular weight of 324.88 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 120609150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).