2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide

C15H24N2O2 — CID 63367220

IUPAC2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide
SMILESCc1ccc(OC(C)C(=O)NC(C)C)c([C@H](C)N)c1
InChIInChI=1S/C15H24N2O2/c1-9(2)17-15(18)12(5)19-14-7-6-10(3)8-13(14)11(4)16/h6-9,11-12H,16H2,1-5H3,(H,17,18)/t11-,12?/m0/s1
InChIKeyNQFFAFDCNCTQEU-PXYINDEMSA-N
MW264.37 g/mol
LogP2.31
Rot. Bonds5

About 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide

2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide (PubChem CID 63367220) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide
PubChem CID63367220
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide
SMILESCc1ccc(OC(C)C(=O)NC(C)C)c([C@H](C)N)c1
InChIInChI=1S/C15H24N2O2/c1-9(2)17-15(18)12(5)19-14-7-6-10(3)8-13(14)11(4)16/h6-9,11-12H,16H2,1-5H3,(H,17,18)/t11-,12?/m0/s1
InChIKeyNQFFAFDCNCTQEU-PXYINDEMSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide
CID 78936570
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide
CID 63325896
ethyl 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]propanoate
CID 78936226
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-pentylpropanamide
CID 63367218
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide
CID 63366476
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide
CID 43504967
N-carbamoyl-2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43505089
2-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]-N-pentan-2-ylpropanamide
CID 63366584
(2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100569830
2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide
CID 43505240
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]propanoic acid
CID 78946999
2-(2-methyl-4-sulfamoylphenoxy)-N-propan-2-ylpropanamide
CID 82921728

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide (CID 63367220) is 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide is Cc1ccc(OC(C)C(=O)NC(C)C)c([C@H](C)N)c1.
What is the InChIKey of 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide?
The InChIKey is NQFFAFDCNCTQEU-PXYINDEMSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-9(2)17-15(18)12(5)19-14-7-6-10(3)8-13(14)11(4)16/h6-9,11-12H,16H2,1-5H3,(H,17,18)/t11-,12?/m0/s1.
What are the key properties of 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide?
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 2.31, 5 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]-4-methylphenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 63367220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).