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

C15H24N2O2 — CID 78947098

IUPAC2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide
SMILESCc1ccc([C@H](C)N)c(OCC(=O)NCC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-10(2)8-17-15(18)9-19-14-7-11(3)5-6-13(14)12(4)16/h5-7,10,12H,8-9,16H2,1-4H3,(H,17,18)/t12-/m0/s1
InChIKeyWDWDXTULNCJALB-LBPRGKRZSA-N
MW264.37 g/mol
LogP2.17
Rot. Bonds6

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

2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 78947098) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide
PubChem CID78947098
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide
SMILESCc1ccc([C@H](C)N)c(OCC(=O)NCC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-10(2)8-17-15(18)9-19-14-7-11(3)5-6-13(14)12(4)16/h5-7,10,12H,8-9,16H2,1-4H3,(H,17,18)/t12-/m0/s1
InChIKeyWDWDXTULNCJALB-LBPRGKRZSA-N
XLogP2.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 63368195
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78947410
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide
CID 63650860
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-(2-cyanoethyl)acetamide
CID 78946994
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 63649947
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide
CID 78946963
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 63365039
2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 19165047
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63639918
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63639424

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide (CID 78947098) is 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide is Cc1ccc([C@H](C)N)c(OCC(=O)NCC(C)C)c1.
What is the InChIKey of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is WDWDXTULNCJALB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)8-17-15(18)9-19-14-7-11(3)5-6-13(14)12(4)16/h5-7,10,12H,8-9,16H2,1-4H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide?
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 264.37 g/mol, XLogP of 2.17, 6 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]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 78947098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).