ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate

C16H25NO3 — CID 64707450

IUPACethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CC(C)Oc1cccc(C)c1C
InChIInChI=1S/C16H25NO3/c1-6-19-15(18)16(5,17)10-12(3)20-14-9-7-8-11(2)13(14)4/h7-9,12H,6,10,17H2,1-5H3
InChIKeyABQKFIXVVXBXHJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.74
Rot. Bonds6

About ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate

ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate (PubChem CID 64707450) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate
PubChem CID64707450
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CC(C)Oc1cccc(C)c1C
InChIInChI=1S/C16H25NO3/c1-6-19-15(18)16(5,17)10-12(3)20-14-9-7-8-11(2)13(14)4/h7-9,12H,6,10,17H2,1-5H3
InChIKeyABQKFIXVVXBXHJ-UHFFFAOYSA-N
XLogP2.74
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate
CID 64706659
ethyl 4-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 107660538
methyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate
CID 64706651
ethyl 2-amino-4-(3,4-difluorophenoxy)-2-methylpentanoate
CID 64721123
methyl 2-amino-4-(2,3-difluorophenoxy)-2-methylpentanoate
CID 64721367
2-(2,3-dimethylphenoxy)propan-1-amine
CID 22688786
methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate
CID 64706465
methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
CID 64708498
ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 102983589
N-tert-butyl-3-(2,3-dimethylphenoxy)butan-1-amine
CID 114996294
methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate
CID 64708683
(2S)-2-(2,3-dimethylphenoxy)propanoyl chloride
CID 51663755

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate?
The IUPAC name of ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate (CID 64707450) is ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate.
What is the SMILES notation for ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate?
The canonical SMILES for ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate is CCOC(=O)C(C)(N)CC(C)Oc1cccc(C)c1C.
What is the InChIKey of ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate?
The InChIKey is ABQKFIXVVXBXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-19-15(18)16(5,17)10-12(3)20-14-9-7-8-11(2)13(14)4/h7-9,12H,6,10,17H2,1-5H3.
What are the key properties of ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate?
ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate has a molecular weight of 279.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate is sourced from PubChem (CID 64707450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).