3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide

C14H22N2O2 — CID 55200918

IUPAC3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(C)cc1CC(C)N
InChIInChI=1S/C14H22N2O2/c1-10-4-5-13(12(8-10)9-11(2)15)18-7-6-14(17)16-3/h4-5,8,11H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyQXYLHBPEEMUALB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.40
Rot. Bonds6

About 3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide

3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide (PubChem CID 55200918) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide
PubChem CID55200918
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(C)cc1CC(C)N
InChIInChI=1S/C14H22N2O2/c1-10-4-5-13(12(8-10)9-11(2)15)18-7-6-14(17)16-3/h4-5,8,11H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyQXYLHBPEEMUALB-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide
CID 63325860
1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 55200535
3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide
CID 63326041
ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
CID 63326114
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326335
1-[5-methyl-2-(3-methylsulfonylpropoxy)phenyl]propan-2-amine
CID 63326330
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopentylacetamide
CID 63326156
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide
CID 63326072
3-[2-(2-aminopropyl)-4-methoxyphenoxy]-N-ethylpropanamide
CID 62325762
1-[2-(methoxymethoxy)-5-methylphenyl]propan-2-amine
CID 65364966
3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 78936627
3-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methylpropanamide
CID 55191169

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide?
The IUPAC name of 3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide (CID 55200918) is 3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide is CNC(=O)CCOc1ccc(C)cc1CC(C)N.
What is the InChIKey of 3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide?
The InChIKey is QXYLHBPEEMUALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-4-5-13(12(8-10)9-11(2)15)18-7-6-14(17)16-3/h4-5,8,11H,6-7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide?
3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide is sourced from PubChem (CID 55200918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).