2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide

C14H16N2OS — CID 81322396

IUPAC2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
SMILESNCc1ccccc1CC(=O)NCc1ccsc1
InChIInChI=1S/C14H16N2OS/c15-8-13-4-2-1-3-12(13)7-14(17)16-9-11-5-6-18-10-11/h1-6,10H,7-9,15H2,(H,16,17)
InChIKeyUNNUYLIMKMMWEU-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.07
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 81322396) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
PubChem CID81322396
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
SMILESNCc1ccccc1CC(=O)NCc1ccsc1
InChIInChI=1S/C14H16N2OS/c15-8-13-4-2-1-3-12(13)7-14(17)16-9-11-5-6-18-10-11/h1-6,10H,7-9,15H2,(H,16,17)
InChIKeyUNNUYLIMKMMWEU-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide
CID 62950632
2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide
CID 63613033
7-amino-N-(thiophen-3-ylmethyl)heptanamide
CID 63246456
N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 107233866
N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 63311259
N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide
CID 43548608
N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide
CID 62951184
3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide
CID 63246869
2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 81317526
1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide
CID 106774052
(2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide
CID 79023085
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide (CID 81322396) is 2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide is NCc1ccccc1CC(=O)NCc1ccsc1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is UNNUYLIMKMMWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c15-8-13-4-2-1-3-12(13)7-14(17)16-9-11-5-6-18-10-11/h1-6,10H,7-9,15H2,(H,16,17).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 260.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 81322396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).