3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide

C16H20N2OS — CID 120610443

IUPAC3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)CCc2ccccc2N)s1
InChIInChI=1S/C16H20N2OS/c1-12-7-9-14(20-12)11-18(2)16(19)10-8-13-5-3-4-6-15(13)17/h3-7,9H,8,10-11,17H2,1-2H3
InChIKeyRQAXFBMCYHWWEU-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.23
Rot. Bonds5

About 3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide

3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide (PubChem CID 120610443) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
PubChem CID120610443
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)CCc2ccccc2N)s1
InChIInChI=1S/C16H20N2OS/c1-12-7-9-14(20-12)11-18(2)16(19)10-8-13-5-3-4-6-15(13)17/h3-7,9H,8,10-11,17H2,1-2H3
InChIKeyRQAXFBMCYHWWEU-UHFFFAOYSA-N
XLogP3.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.23
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

3-(2-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide;hydrochloride
CID 120608213
3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 107272887
3-(2-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpropanamide;hydrochloride
CID 120608250
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
CID 43309262
7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride
CID 119773733
2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 166403146
3-(2-aminophenyl)-N-methyl-N-[(4-methylsulfinylphenyl)methyl]propanamide
CID 120611456
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43309193
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide
CID 54883935
3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 119773776
3-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81061981

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide (CID 120610443) is 3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide is Cc1ccc(CN(C)C(=O)CCc2ccccc2N)s1.
What is the InChIKey of 3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is RQAXFBMCYHWWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-7-9-14(20-12)11-18(2)16(19)10-8-13-5-3-4-6-15(13)17/h3-7,9H,8,10-11,17H2,1-2H3.
What are the key properties of 3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide?
3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 288.42 g/mol, XLogP of 3.23, 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-[(5-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 120610443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).