2-[methyl(2-phenylpropyl)amino]ethyl acetate

C14H21NO2 — CID 24838009

IUPAC2-[methyl(2-phenylpropyl)amino]ethyl acetate
SMILESCC(=O)OCCN(C)CC(C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(14-7-5-4-6-8-14)11-15(3)9-10-17-13(2)16/h4-8,12H,9-11H2,1-3H3
InChIKeyDVLLOBWEOYLRSJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.29
Rot. Bonds6

About 2-[methyl(2-phenylpropyl)amino]ethyl acetate

2-[methyl(2-phenylpropyl)amino]ethyl acetate (PubChem CID 24838009) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[methyl(2-phenylpropyl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[methyl(2-phenylpropyl)amino]ethyl acetate
PubChem CID24838009
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[methyl(2-phenylpropyl)amino]ethyl acetate
SMILESCC(=O)OCCN(C)CC(C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(14-7-5-4-6-8-14)11-15(3)9-10-17-13(2)16/h4-8,12H,9-11H2,1-3H3
InChIKeyDVLLOBWEOYLRSJ-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride
CID 3031007
[(3R)-3-phenylbutyl] acetate
CID 12598598
[(2S)-2-phenylpropyl] acetate
CID 10261650
(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol
CID 40768444
(3,4-dihydroxy-4-phenylbutyl) acetate
CID 123233142
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
3-[2,2-diphenylethyl(methyl)amino]propanoic acid
CID 107292983
2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
CID 101188921
[(3S)-4-acetyloxy-3-phenylbutyl] acetate
CID 100998511
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
(2S)-1-ethoxy-3-[methyl-[(2R)-2-phenylpropyl]amino]propan-2-ol
CID 98764184

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-phenylpropyl)amino]ethyl acetate?
The IUPAC name of 2-[methyl(2-phenylpropyl)amino]ethyl acetate (CID 24838009) is 2-[methyl(2-phenylpropyl)amino]ethyl acetate.
What is the SMILES notation for 2-[methyl(2-phenylpropyl)amino]ethyl acetate?
The canonical SMILES for 2-[methyl(2-phenylpropyl)amino]ethyl acetate is CC(=O)OCCN(C)CC(C)c1ccccc1.
What is the InChIKey of 2-[methyl(2-phenylpropyl)amino]ethyl acetate?
The InChIKey is DVLLOBWEOYLRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(14-7-5-4-6-8-14)11-15(3)9-10-17-13(2)16/h4-8,12H,9-11H2,1-3H3.
What are the key properties of 2-[methyl(2-phenylpropyl)amino]ethyl acetate?
2-[methyl(2-phenylpropyl)amino]ethyl acetate has a molecular weight of 235.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-phenylpropyl)amino]ethyl acetate is sourced from PubChem (CID 24838009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).