2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide

C17H22N2OS — CID 81312766

IUPAC2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)Cc1ccccc1CN)c1cccs1
InChIInChI=1S/C17H22N2OS/c1-17(2,15-8-5-9-21-15)12-19-16(20)10-13-6-3-4-7-14(13)11-18/h3-9H,10-12,18H2,1-2H3,(H,19,20)
InChIKeyYYEGRILDGFYFKI-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.84
Rot. Bonds6

About 2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide (PubChem CID 81312766) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
PubChem CID81312766
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)Cc1ccccc1CN)c1cccs1
InChIInChI=1S/C17H22N2OS/c1-17(2,15-8-5-9-21-15)12-19-16(20)10-13-6-3-4-7-14(13)11-18/h3-9H,10-12,18H2,1-2H3,(H,19,20)
InChIKeyYYEGRILDGFYFKI-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 78963260
5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide
CID 80527343
2-(5-amino-2-pyridinyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 107339275
N-(2-methyl-2-thiophen-2-ylpropyl)-N'-(2,2,2-trifluoroethyl)propanediamide
CID 75451079
3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide
CID 80526634
4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
CID 115157160
(2R)-2-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylacetamide
CID 80527246
2-(1-aminocyclobutyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 80527308
ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate
CID 78962055
4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374
ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate
CID 78963918
N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide
CID 113236235

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide (CID 81312766) is 2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide is CC(C)(CNC(=O)Cc1ccccc1CN)c1cccs1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide?
The InChIKey is YYEGRILDGFYFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-17(2,15-8-5-9-21-15)12-19-16(20)10-13-6-3-4-7-14(13)11-18/h3-9H,10-12,18H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide has a molecular weight of 302.44 g/mol, XLogP of 2.84, 6 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-(2-methyl-2-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 81312766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).