3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide

C15H24N2O2 — CID 63325860

IUPAC3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide
SMILESCc1ccc(OCCC(=O)N(C)C)c(CC(C)N)c1
InChIInChI=1S/C15H24N2O2/c1-11-5-6-14(13(9-11)10-12(2)16)19-8-7-15(18)17(3)4/h5-6,9,12H,7-8,10,16H2,1-4H3
InChIKeyQGJASSWVZZSVTA-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.74
Rot. Bonds6

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

3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide (PubChem CID 63325860) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide
PubChem CID63325860
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide
SMILESCc1ccc(OCCC(=O)N(C)C)c(CC(C)N)c1
InChIInChI=1S/C15H24N2O2/c1-11-5-6-14(13(9-11)10-12(2)16)19-8-7-15(18)17(3)4/h5-6,9,12H,7-8,10,16H2,1-4H3
InChIKeyQGJASSWVZZSVTA-UHFFFAOYSA-N
XLogP1.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide
CID 55200918
N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 63323400
3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 55246301
3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 63366501
ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
CID 63326114
1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 55200535
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
1-[5-methyl-2-(3-methylsulfonylpropoxy)phenyl]propan-2-amine
CID 63326330
1-[2-(methoxymethoxy)-5-methylphenyl]propan-2-amine
CID 65364966
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 54878942
3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 63640822
2-[2-(2-aminopropyl)-4-methylphenoxy]acetonitrile
CID 63326461

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide (CID 63325860) is 3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide is Cc1ccc(OCCC(=O)N(C)C)c(CC(C)N)c1.
What is the InChIKey of 3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide?
The InChIKey is QGJASSWVZZSVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-5-6-14(13(9-11)10-12(2)16)19-8-7-15(18)17(3)4/h5-6,9,12H,7-8,10,16H2,1-4H3.
What are the key properties of 3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide?
3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 63325860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).