[2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate

C14H21NO2 — CID 150377351

IUPAC[2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate
SMILESCC(=O)OC(C)(C)CNCCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(16)17-14(2,3)11-15-10-9-13-7-5-4-6-8-13/h4-8,15H,9-11H2,1-3H3
InChIKeyGYZHLWFCGFZSCY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.16
Rot. Bonds6

About [2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate

[2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate (PubChem CID 150377351) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate.

Molecular Properties

Compound Name[2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate
PubChem CID150377351
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate
SMILESCC(=O)OC(C)(C)CNCCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(16)17-14(2,3)11-15-10-9-13-7-5-4-6-8-13/h4-8,15H,9-11H2,1-3H3
InChIKeyGYZHLWFCGFZSCY-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-(2-phenylethylamino)propanamide
CID 103617251
(2-methyl-5-phenylpentan-2-yl) hydrogen carbonate
CID 150202343
[(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate
CID 102595123
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
2-N,2-N,2-trimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 28651842
CID 177239843
CID 177239843
(2-methyl-5-phenylpentan-2-yl) benzoate
CID 118040368
CID 177239842
CID 177239842
bis(2-methyl-4-phenylbutan-2-yl) oxalate
CID 163946478
1-bromo-3-methyl-3-(2-phenylethylamino)butan-2-one
CID 21494535
tert-butyl N-[1-(2-phenylethylamino)butan-2-yl]carbamate
CID 107250176
2-hydroxy-2-methyl-N-(2-phenylethyl)propanamide
CID 71525164

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate?
The IUPAC name of [2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate (CID 150377351) is [2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate.
What is the SMILES notation for [2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate?
The canonical SMILES for [2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate is CC(=O)OC(C)(C)CNCCc1ccccc1.
What is the InChIKey of [2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate?
The InChIKey is GYZHLWFCGFZSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(16)17-14(2,3)11-15-10-9-13-7-5-4-6-8-13/h4-8,15H,9-11H2,1-3H3.
What are the key properties of [2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate?
[2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate has a molecular weight of 235.33 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate is sourced from PubChem (CID 150377351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).