ethyl 2-(2-amino-5-methylphenoxy)pentanoate

C14H21NO3 — CID 83034439

IUPACethyl 2-(2-amino-5-methylphenoxy)pentanoate
SMILESCCCC(Oc1cc(C)ccc1N)C(=O)OCC
InChIInChI=1S/C14H21NO3/c1-4-6-12(14(16)17-5-2)18-13-9-10(3)7-8-11(13)15/h7-9,12H,4-6,15H2,1-3H3
InChIKeySYHQMFCJCLXGPI-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.69
Rot. Bonds6

About ethyl 2-(2-amino-5-methylphenoxy)pentanoate

ethyl 2-(2-amino-5-methylphenoxy)pentanoate (PubChem CID 83034439) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-(2-amino-5-methylphenoxy)pentanoate.

Molecular Properties

Compound Nameethyl 2-(2-amino-5-methylphenoxy)pentanoate
PubChem CID83034439
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-(2-amino-5-methylphenoxy)pentanoate
SMILESCCCC(Oc1cc(C)ccc1N)C(=O)OCC
InChIInChI=1S/C14H21NO3/c1-4-6-12(14(16)17-5-2)18-13-9-10(3)7-8-11(13)15/h7-9,12H,4-6,15H2,1-3H3
InChIKeySYHQMFCJCLXGPI-UHFFFAOYSA-N
XLogP2.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]pentanoate
CID 83042105
4-methyl-2-pentan-2-yloxyaniline
CID 102980406
ethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate
CID 83037159
ethyl 2-(4-amino-2-chlorophenoxy)pentanoate
CID 83034701
ethyl 2-(2,4,5-trichlorophenoxy)pentanoate
CID 83038818
ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate
CID 40613985
2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one
CID 46307329
2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one
CID 46307864
ethyl 2-(2,5-dichlorophenoxy)pentanoate
CID 83038151
2-(1-ethoxy-1-oxobutan-2-yl)oxy-5-methylbenzoic acid
CID 64662565
ethyl 2-[4-amino-2-(trifluoromethyl)phenoxy]pentanoate
CID 83037158
ethyl 2-[2-(2-aminobutyl)-4-methylphenoxy]butanoate
CID 64663407

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-5-methylphenoxy)pentanoate?
The IUPAC name of ethyl 2-(2-amino-5-methylphenoxy)pentanoate (CID 83034439) is ethyl 2-(2-amino-5-methylphenoxy)pentanoate.
What is the SMILES notation for ethyl 2-(2-amino-5-methylphenoxy)pentanoate?
The canonical SMILES for ethyl 2-(2-amino-5-methylphenoxy)pentanoate is CCCC(Oc1cc(C)ccc1N)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-amino-5-methylphenoxy)pentanoate?
The InChIKey is SYHQMFCJCLXGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-6-12(14(16)17-5-2)18-13-9-10(3)7-8-11(13)15/h7-9,12H,4-6,15H2,1-3H3.
What are the key properties of ethyl 2-(2-amino-5-methylphenoxy)pentanoate?
ethyl 2-(2-amino-5-methylphenoxy)pentanoate has a molecular weight of 251.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-5-methylphenoxy)pentanoate is sourced from PubChem (CID 83034439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).