ethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate

C16H25NO3 — CID 64668116

IUPACethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate
SMILESCCNC(C)c1ccc(OC(CC)C(=O)OCC)cc1
InChIInChI=1S/C16H25NO3/c1-5-15(16(18)19-7-3)20-14-10-8-13(9-11-14)12(4)17-6-2/h8-12,15,17H,5-7H2,1-4H3
InChIKeyMYOATQUEHVYGGD-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.08
Rot. Bonds8

About ethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate

ethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate (PubChem CID 64668116) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate
PubChem CID64668116
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate
SMILESCCNC(C)c1ccc(OC(CC)C(=O)OCC)cc1
InChIInChI=1S/C16H25NO3/c1-5-15(16(18)19-7-3)20-14-10-8-13(9-11-14)12(4)17-6-2/h8-12,15,17H,5-7H2,1-4H3
InChIKeyMYOATQUEHVYGGD-UHFFFAOYSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
ethyl 2-(4-propylphenoxy)butanoate
CID 64662863
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007249
ethyl 2-(ethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932724
N-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine
CID 43285161
N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide
CID 43279277
ethyl (2S)-2-(4-nitrophenoxy)butanoate
CID 95358569
ethyl 2-[3-[(1R)-1-aminoethyl]phenoxy]butanoate
CID 78996836
ethyl (2S)-3-(4-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanoate
CID 125467568
ethyl 2-[4-[1-(ethylamino)ethyl]phenyl]sulfanylpentanoate
CID 83052085
ethyl 2-[3-[(propan-2-ylamino)methyl]phenoxy]butanoate
CID 64669104
acetic acid;(1S)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 91361825

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate?
The IUPAC name of ethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate (CID 64668116) is ethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate.
What is the SMILES notation for ethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate?
The canonical SMILES for ethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate is CCNC(C)c1ccc(OC(CC)C(=O)OCC)cc1.
What is the InChIKey of ethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate?
The InChIKey is MYOATQUEHVYGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-15(16(18)19-7-3)20-14-10-8-13(9-11-14)12(4)17-6-2/h8-12,15,17H,5-7H2,1-4H3.
What are the key properties of ethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate?
ethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate has a molecular weight of 279.38 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate is sourced from PubChem (CID 64668116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).