1-phenylethyl 3-(ethylamino)-2-methylpropanoate

C14H21NO2 — CID 62852098

IUPAC1-phenylethyl 3-(ethylamino)-2-methylpropanoate
SMILESCCNCC(C)C(=O)OC(C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-15-10-11(2)14(16)17-12(3)13-8-6-5-7-9-13/h5-9,11-12,15H,4,10H2,1-3H3
InChIKeyIOGORHOEEDANOY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.54
Rot. Bonds6

About 1-phenylethyl 3-(ethylamino)-2-methylpropanoate

1-phenylethyl 3-(ethylamino)-2-methylpropanoate (PubChem CID 62852098) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-phenylethyl 3-(ethylamino)-2-methylpropanoate.

Molecular Properties

Compound Name1-phenylethyl 3-(ethylamino)-2-methylpropanoate
PubChem CID62852098
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-phenylethyl 3-(ethylamino)-2-methylpropanoate
SMILESCCNCC(C)C(=O)OC(C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-15-10-11(2)14(16)17-12(3)13-8-6-5-7-9-13/h5-9,11-12,15H,4,10H2,1-3H3
InChIKeyIOGORHOEEDANOY-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylethyl 2-methyloctanoate
CID 121241177
[(1R)-1-phenylethyl] 2-aminobutanoate
CID 175076698
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
3-(ethylamino)-2-methyl-N-(2-methyl-1-phenylpropyl)propanamide
CID 62851824
[(1S)-1-phenylethyl] N-(aminomethoxy)carbamate
CID 139568949
methyl 2-methyl-3-(2-phenylpropylamino)propanoate
CID 104591422
1-phenylethyl 3-amino-2-hydroxypropanoate
CID 66164983
methyl 3-(ethylamino)-2-methylpropanoate
CID 3889298
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
[(1S)-1-phenylethyl] 2-methyl-3-oxobutanoate
CID 11746142
1-phenylethyl 2-amino-4-methylpentanoate
CID 61277659

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 3-(ethylamino)-2-methylpropanoate?
The IUPAC name of 1-phenylethyl 3-(ethylamino)-2-methylpropanoate (CID 62852098) is 1-phenylethyl 3-(ethylamino)-2-methylpropanoate.
What is the SMILES notation for 1-phenylethyl 3-(ethylamino)-2-methylpropanoate?
The canonical SMILES for 1-phenylethyl 3-(ethylamino)-2-methylpropanoate is CCNCC(C)C(=O)OC(C)c1ccccc1.
What is the InChIKey of 1-phenylethyl 3-(ethylamino)-2-methylpropanoate?
The InChIKey is IOGORHOEEDANOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-15-10-11(2)14(16)17-12(3)13-8-6-5-7-9-13/h5-9,11-12,15H,4,10H2,1-3H3.
What are the key properties of 1-phenylethyl 3-(ethylamino)-2-methylpropanoate?
1-phenylethyl 3-(ethylamino)-2-methylpropanoate has a molecular weight of 235.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl 3-(ethylamino)-2-methylpropanoate is sourced from PubChem (CID 62852098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).