[1-phenyl-2-(propan-2-ylamino)ethyl] acetate

C13H19NO2 — CID 54509010

IUPAC[1-phenyl-2-(propan-2-ylamino)ethyl] acetate
SMILESCC(=O)OC(CNC(C)C)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-10(2)14-9-13(16-11(3)15)12-7-5-4-6-8-12/h4-8,10,13-14H,9H2,1-3H3
InChIKeyYHTVIEWBBKKXEE-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.29
Rot. Bonds5

About [1-phenyl-2-(propan-2-ylamino)ethyl] acetate

[1-phenyl-2-(propan-2-ylamino)ethyl] acetate (PubChem CID 54509010) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [1-phenyl-2-(propan-2-ylamino)ethyl] acetate.

Molecular Properties

Compound Name[1-phenyl-2-(propan-2-ylamino)ethyl] acetate
PubChem CID54509010
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[1-phenyl-2-(propan-2-ylamino)ethyl] acetate
SMILESCC(=O)OC(CNC(C)C)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-10(2)14-9-13(16-11(3)15)12-7-5-4-6-8-12/h4-8,10,13-14H,9H2,1-3H3
InChIKeyYHTVIEWBBKKXEE-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(tert-butylamino)-1-phenylethyl] acetate
CID 174893597
2-[3-[1-acetyloxy-2-(propan-2-ylamino)ethyl]-5-(carboxymethyl)phenyl]acetic acid
CID 175008580
[4-(methylamino)-4-oxo-1-phenylbutyl] acetate
CID 71678078
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
[(1S)-1-phenylpentyl] acetate
CID 12651064
[1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate
CID 163634845
ethyl 3-[[(2S)-2-acetyloxy-2-phenylethyl]amino]-3-oxopropanoate
CID 124895899
N-[2-phenyl-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108300
3-acetyloxy-3-phenylpropanoic acid;1,1'-biphenyl
CID 19790806
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
[2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate
CID 22297806
[2-(azepan-1-yl)-1-phenylethyl] acetate
CID 3115187

Frequently Asked Questions

What is the IUPAC name of [1-phenyl-2-(propan-2-ylamino)ethyl] acetate?
The IUPAC name of [1-phenyl-2-(propan-2-ylamino)ethyl] acetate (CID 54509010) is [1-phenyl-2-(propan-2-ylamino)ethyl] acetate.
What is the SMILES notation for [1-phenyl-2-(propan-2-ylamino)ethyl] acetate?
The canonical SMILES for [1-phenyl-2-(propan-2-ylamino)ethyl] acetate is CC(=O)OC(CNC(C)C)c1ccccc1.
What is the InChIKey of [1-phenyl-2-(propan-2-ylamino)ethyl] acetate?
The InChIKey is YHTVIEWBBKKXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)14-9-13(16-11(3)15)12-7-5-4-6-8-12/h4-8,10,13-14H,9H2,1-3H3.
What are the key properties of [1-phenyl-2-(propan-2-ylamino)ethyl] acetate?
[1-phenyl-2-(propan-2-ylamino)ethyl] acetate has a molecular weight of 221.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-2-(propan-2-ylamino)ethyl] acetate is sourced from PubChem (CID 54509010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).