2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide

C15H18N2OS — CID 81317529

IUPAC2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)Cc1ccccc1CN)c1cccs1
InChIInChI=1S/C15H18N2OS/c1-11(14-7-4-8-19-14)17-15(18)9-12-5-2-3-6-13(12)10-16/h2-8,11H,9-10,16H2,1H3,(H,17,18)
InChIKeyGRZPKEYXJSHRQU-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.63
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 81317529) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID81317529
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)Cc1ccccc1CN)c1cccs1
InChIInChI=1S/C15H18N2OS/c1-11(14-7-4-8-19-14)17-15(18)9-12-5-2-3-6-13(12)10-16/h2-8,11H,9-10,16H2,1H3,(H,17,18)
InChIKeyGRZPKEYXJSHRQU-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 81408318
2-[2-(aminomethyl)phenyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 81312311
2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 81313304
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide
CID 81318090
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 8913554
(3R)-3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 93104023
(2S)-2-amino-3-methyl-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]butanamide
CID 82961932
3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408213
4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide
CID 103156389
N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090212
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide (CID 81317529) is 2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)Cc1ccccc1CN)c1cccs1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is GRZPKEYXJSHRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11(14-7-4-8-19-14)17-15(18)9-12-5-2-3-6-13(12)10-16/h2-8,11H,9-10,16H2,1H3,(H,17,18).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 274.39 g/mol, XLogP of 2.63, 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-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 81317529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).