2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide

C15H24N2O2 — CID 112614743

IUPAC2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide
SMILESCc1cccc(CCN)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-11-6-5-7-12(8-9-16)14(11)19-10-13(18)17-15(2,3)4/h5-7H,8-10,16H2,1-4H3,(H,17,18)
InChIKeyIIXMAYPVBFQWAB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.79
Rot. Bonds5

About 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide

2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide (PubChem CID 112614743) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide
PubChem CID112614743
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide
SMILESCc1cccc(CCN)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-11-6-5-7-12(8-9-16)14(11)19-10-13(18)17-15(2,3)4/h5-7H,8-10,16H2,1-4H3,(H,17,18)
InChIKeyIIXMAYPVBFQWAB-UHFFFAOYSA-N
XLogP1.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(cyanomethyl)acetamide
CID 112614713
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide
CID 115957613
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 115957680
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide
CID 115957606
2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide
CID 61389859
2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide
CID 62018129
[2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489138
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide
CID 107739401
N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide
CID 82335715
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide
CID 112615081
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 115957884
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-cyclopentylpropanamide
CID 115957684

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide (CID 112614743) is 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide is Cc1cccc(CCN)c1OCC(=O)NC(C)(C)C.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide?
The InChIKey is IIXMAYPVBFQWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-6-5-7-12(8-9-16)14(11)19-10-13(18)17-15(2,3)4/h5-7H,8-10,16H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide?
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide has a molecular weight of 264.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide is sourced from PubChem (CID 112614743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).