ethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate

C15H23NO4 — CID 103566157

IUPACethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate
SMILESCCCC(Oc1cc(CN)cc(OC)c1)C(=O)OCC
InChIInChI=1S/C15H23NO4/c1-4-6-14(15(17)19-5-2)20-13-8-11(10-16)7-12(9-13)18-3/h7-9,14H,4-6,10,16H2,1-3H3
InChIKeyXJOGTZLKDTZHJH-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.26
Rot. Bonds8

About ethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate

ethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate (PubChem CID 103566157) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate.

Molecular Properties

Compound Nameethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate
PubChem CID103566157
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate
SMILESCCCC(Oc1cc(CN)cc(OC)c1)C(=O)OCC
InChIInChI=1S/C15H23NO4/c1-4-6-14(15(17)19-5-2)20-13-8-11(10-16)7-12(9-13)18-3/h7-9,14H,4-6,10,16H2,1-3H3
InChIKeyXJOGTZLKDTZHJH-UHFFFAOYSA-N
XLogP2.26
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid
CID 103566156
2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide
CID 103566037
ethyl 2-(3-ethylphenoxy)pentanoate
CID 83038247
2-(1-ethoxy-1-oxopentan-2-yl)oxy-5-methoxybenzoic acid
CID 83040391
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate
CID 83035515
ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate
CID 83037537
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide
CID 103565959
ethyl 2-(3,5-difluorophenoxy)hexanoate
CID 134817597
2-[2-(aminomethyl)-4-methoxyphenoxy]pentanoic acid
CID 83037941
ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
CID 83038168
ethyl 2-(2,4,5-trichlorophenoxy)pentanoate
CID 83038818

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate?
The IUPAC name of ethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate (CID 103566157) is ethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate.
What is the SMILES notation for ethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate?
The canonical SMILES for ethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate is CCCC(Oc1cc(CN)cc(OC)c1)C(=O)OCC.
What is the InChIKey of ethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate?
The InChIKey is XJOGTZLKDTZHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-6-14(15(17)19-5-2)20-13-8-11(10-16)7-12(9-13)18-3/h7-9,14H,4-6,10,16H2,1-3H3.
What are the key properties of ethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate?
ethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate has a molecular weight of 281.35 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate is sourced from PubChem (CID 103566157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).