N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide

C14H16N2OS — CID 43383718

IUPACN-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(Cc1cccc(N)c1)C(=O)Cc1cccs1
InChIInChI=1S/C14H16N2OS/c1-16(10-11-4-2-5-12(15)8-11)14(17)9-13-6-3-7-18-13/h2-8H,9-10,15H2,1H3
InChIKeyYVUAFTSCMAGYAJ-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.53
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide

N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 43383718) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
PubChem CID43383718
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(Cc1cccc(N)c1)C(=O)Cc1cccs1
InChIInChI=1S/C14H16N2OS/c1-16(10-11-4-2-5-12(15)8-11)14(17)9-13-6-3-7-18-13/h2-8H,9-10,15H2,1H3
InChIKeyYVUAFTSCMAGYAJ-UHFFFAOYSA-N
XLogP2.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.53
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

2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 62498032
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
3-(2-thiophen-2-ylethyl)aniline
CID 170738786
2-(2-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 43527191
1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 43527299
N-methyl-2-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 52570534
N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide
CID 43114422
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 61411542
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-2-ylacetamide
CID 79653255

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide (CID 43383718) is N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide is CN(Cc1cccc(N)c1)C(=O)Cc1cccs1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is YVUAFTSCMAGYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-16(10-11-4-2-5-12(15)8-11)14(17)9-13-6-3-7-18-13/h2-8H,9-10,15H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide?
N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide has a molecular weight of 260.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 43383718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).