[2-(tert-butylamino)-1-phenylethyl] acetate

C14H21NO2 — CID 174893597

IUPAC[2-(tert-butylamino)-1-phenylethyl] acetate
SMILESCC(=O)OC(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(16)17-13(10-15-14(2,3)4)12-8-6-5-7-9-12/h5-9,13,15H,10H2,1-4H3
InChIKeyGSIKDRRWLDRNMX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.68
Rot. Bonds4

About [2-(tert-butylamino)-1-phenylethyl] acetate

[2-(tert-butylamino)-1-phenylethyl] acetate (PubChem CID 174893597) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-(tert-butylamino)-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-(tert-butylamino)-1-phenylethyl] acetate
PubChem CID174893597
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[2-(tert-butylamino)-1-phenylethyl] acetate
SMILESCC(=O)OC(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(16)17-13(10-15-14(2,3)4)12-8-6-5-7-9-12/h5-9,13,15H,10H2,1-4H3
InChIKeyGSIKDRRWLDRNMX-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-phenyl-2-(propan-2-ylamino)ethyl] acetate
CID 54509010
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
[(1S)-1-phenylpentyl] acetate
CID 12651064
[1-(4-acetamido-3,5-dichlorophenyl)-2-(tert-butylamino)ethyl] acetate;ethanol
CID 70405395
[(2R,4S)-4-acetyloxy-2-hydroxy-2-methyl-4-phenylbutyl] acetate
CID 134934696
ethyl 3-[[(2S)-2-acetyloxy-2-phenylethyl]amino]-3-oxopropanoate
CID 124895899
3-acetyloxy-3-phenylpropanoic acid;1,1'-biphenyl
CID 19790806
[4-(methylamino)-4-oxo-1-phenylbutyl] acetate
CID 71678078
1-[2-(tert-butylamino)-1-phenylethoxy]-N,N,2-trimethylpropan-2-amine
CID 79670037
[2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate
CID 22297806
N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-2-amine
CID 62108265
N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine
CID 113474239

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-1-phenylethyl] acetate?
The IUPAC name of [2-(tert-butylamino)-1-phenylethyl] acetate (CID 174893597) is [2-(tert-butylamino)-1-phenylethyl] acetate.
What is the SMILES notation for [2-(tert-butylamino)-1-phenylethyl] acetate?
The canonical SMILES for [2-(tert-butylamino)-1-phenylethyl] acetate is CC(=O)OC(CNC(C)(C)C)c1ccccc1.
What is the InChIKey of [2-(tert-butylamino)-1-phenylethyl] acetate?
The InChIKey is GSIKDRRWLDRNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(16)17-13(10-15-14(2,3)4)12-8-6-5-7-9-12/h5-9,13,15H,10H2,1-4H3.
What are the key properties of [2-(tert-butylamino)-1-phenylethyl] acetate?
[2-(tert-butylamino)-1-phenylethyl] acetate has a molecular weight of 235.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-1-phenylethyl] acetate is sourced from PubChem (CID 174893597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).