2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide

C11H16N2O2 — CID 78946963

IUPAC2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide
SMILESCc1ccc([C@H](C)N)c(OCC(N)=O)c1
InChIInChI=1S/C11H16N2O2/c1-7-3-4-9(8(2)12)10(5-7)15-6-11(13)14/h3-5,8H,6,12H2,1-2H3,(H2,13,14)/t8-/m0/s1
InChIKeyBQMKQFSAPDJMEA-QMMMGPOBSA-N
MW208.26 g/mol
LogP0.88
Rot. Bonds4

About 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide

2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide (PubChem CID 78946963) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide
PubChem CID78946963
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide
SMILESCc1ccc([C@H](C)N)c(OCC(N)=O)c1
InChIInChI=1S/C11H16N2O2/c1-7-3-4-9(8(2)12)10(5-7)15-6-11(13)14/h3-5,8H,6,12H2,1-2H3,(H2,13,14)/t8-/m0/s1
InChIKeyBQMKQFSAPDJMEA-QMMMGPOBSA-N
XLogP0.88
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide 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-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide
CID 63650860
2-[2-(1-aminoethyl)-5-fluorophenoxy]acetamide
CID 63066360
2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide
CID 102946264
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 63649947
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 78947098
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63639918
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78947410
3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 55246301
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]propanoic acid
CID 78946999
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-(2-cyanoethyl)acetamide
CID 78946994
(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine
CID 63639630

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide?
The IUPAC name of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide (CID 78946963) is 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide.
What is the SMILES notation for 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide?
The canonical SMILES for 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide is Cc1ccc([C@H](C)N)c(OCC(N)=O)c1.
What is the InChIKey of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide?
The InChIKey is BQMKQFSAPDJMEA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-3-4-9(8(2)12)10(5-7)15-6-11(13)14/h3-5,8H,6,12H2,1-2H3,(H2,13,14)/t8-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide?
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide has a molecular weight of 208.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide is sourced from PubChem (CID 78946963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).