2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide

C14H22N2O2 — CID 55188481

IUPAC2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc(C)cc1[C@H](C)N
InChIInChI=1S/C14H22N2O2/c1-5-16(4)14(17)9-18-13-7-6-10(2)8-12(13)11(3)15/h6-8,11H,5,9,15H2,1-4H3/t11-/m0/s1
InChIKeyNBZXKUQBWGAOGM-NSHDSACASA-N
MW250.34 g/mol
LogP1.87
Rot. Bonds5

About 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide

2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide (PubChem CID 55188481) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide
PubChem CID55188481
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc(C)cc1[C@H](C)N
InChIInChI=1S/C14H22N2O2/c1-5-16(4)14(17)9-18-13-7-6-10(2)8-12(13)11(3)15/h6-8,11H,5,9,15H2,1-4H3/t11-/m0/s1
InChIKeyNBZXKUQBWGAOGM-NSHDSACASA-N
XLogP1.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide 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-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide
CID 43505060
1-[5-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60889792
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-ethyl-N-methylacetamide
CID 78932238
1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine
CID 65176238
ethyl 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]propanoate
CID 78936226
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide
CID 55190440
3-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-2,2-dimethylpropanoic acid
CID 79629896
3-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-2,2-dimethylpropanoic acid
CID 79630091
methyl 3-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]propanoate
CID 78955036
2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide
CID 78932557
1-[2-(methoxymethoxy)-5-methylphenyl]ethanamine
CID 65365858
1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine
CID 43505039

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide (CID 55188481) is 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide is CCN(C)C(=O)COc1ccc(C)cc1[C@H](C)N.
What is the InChIKey of 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide?
The InChIKey is NBZXKUQBWGAOGM-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-16(4)14(17)9-18-13-7-6-10(2)8-12(13)11(3)15/h6-8,11H,5,9,15H2,1-4H3/t11-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide?
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 55188481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).