methyl 4-[1-(ethylamino)ethyl]benzoate

C12H17NO2 — CID 170764116

IUPACmethyl 4-[1-(ethylamino)ethyl]benzoate
SMILESCCNC(C)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C12H17NO2/c1-4-13-9(2)10-5-7-11(8-6-10)12(14)15-3/h5-9,13H,4H2,1-3H3
InChIKeyXLYDPRQFGPPFJT-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.14
Rot. Bonds4

About methyl 4-[1-(ethylamino)ethyl]benzoate

methyl 4-[1-(ethylamino)ethyl]benzoate (PubChem CID 170764116) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 4-[1-(ethylamino)ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[1-(ethylamino)ethyl]benzoate
PubChem CID170764116
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 4-[1-(ethylamino)ethyl]benzoate
SMILESCCNC(C)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C12H17NO2/c1-4-13-9(2)10-5-7-11(8-6-10)12(14)15-3/h5-9,13H,4H2,1-3H3
InChIKeyXLYDPRQFGPPFJT-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(1S)-1-(propylamino)ethyl]benzoate
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methyl 4-[[1-(4-ethylphenyl)ethylamino]methyl]benzoate
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methyl 4-[cyano(ethylamino)methyl]benzoate
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methyl 4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]benzoate
CID 81356687
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methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate
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methanol;methyl 4-[(1S)-1-aminoethyl]benzoate
CID 143623617
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
methyl 4-[(1S)-1-hydroxy-3-methylbutyl]benzoate
CID 124565441
methyl 4-(1-nitrosoethyl)benzoate
CID 90703909
methyl 4-[1-(4-methoxycarbonylphenyl)-3-oxopentyl]benzoate
CID 14054768
methyl 4-[1-(ethoxycarbonylamino)propan-2-yl]benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(ethylamino)ethyl]benzoate?
The IUPAC name of methyl 4-[1-(ethylamino)ethyl]benzoate (CID 170764116) is methyl 4-[1-(ethylamino)ethyl]benzoate.
What is the SMILES notation for methyl 4-[1-(ethylamino)ethyl]benzoate?
The canonical SMILES for methyl 4-[1-(ethylamino)ethyl]benzoate is CCNC(C)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[1-(ethylamino)ethyl]benzoate?
The InChIKey is XLYDPRQFGPPFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-13-9(2)10-5-7-11(8-6-10)12(14)15-3/h5-9,13H,4H2,1-3H3.
What are the key properties of methyl 4-[1-(ethylamino)ethyl]benzoate?
methyl 4-[1-(ethylamino)ethyl]benzoate has a molecular weight of 207.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(ethylamino)ethyl]benzoate is sourced from PubChem (CID 170764116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).