ethyl 2-amino-5-(2,5-difluorophenoxy)-2-methylpentanoate

C14H19F2NO3 — CID 63269809

IUPACethyl 2-amino-5-(2,5-difluorophenoxy)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CCCOc1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO3/c1-3-19-13(18)14(2,17)7-4-8-20-12-9-10(15)5-6-11(12)16/h5-6,9H,3-4,7-8,17H2,1-2H3
InChIKeyJNMBOMFLIDPNKT-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.40
Rot. Bonds7

About ethyl 2-amino-5-(2,5-difluorophenoxy)-2-methylpentanoate

ethyl 2-amino-5-(2,5-difluorophenoxy)-2-methylpentanoate (PubChem CID 63269809) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is ethyl 2-amino-5-(2,5-difluorophenoxy)-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-5-(2,5-difluorophenoxy)-2-methylpentanoate
PubChem CID63269809
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Nameethyl 2-amino-5-(2,5-difluorophenoxy)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CCCOc1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO3/c1-3-19-13(18)14(2,17)7-4-8-20-12-9-10(15)5-6-11(12)16/h5-6,9H,3-4,7-8,17H2,1-2H3
InChIKeyJNMBOMFLIDPNKT-UHFFFAOYSA-N
XLogP2.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(2,5-difluorophenoxy)-2-methylhexanamide
CID 63269718
ethyl 3-(2,5-difluorophenoxy)propanoate
CID 63268646
methyl 4-(2,5-difluorophenoxy)-2-methyl-2-(propylamino)butanoate
CID 63269935
ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate
CID 66225205
1,4-difluoro-2-hexoxybenzene
CID 23437312
2-amino-5-(2-fluoro-5-methylphenoxy)-2-methylpentan-1-ol
CID 64855935
ethyl 5-(2,3-difluorophenoxy)-2-methyl-2-(methylamino)pentanoate
CID 63038197
5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64810971
6-(2,5-difluorophenoxy)hexan-3-ol
CID 106802707
ethyl 4-amino-2-(2,4-difluorophenyl)-2-methylbutanoate
CID 117049865
methyl 2-amino-4-(2,5-difluorophenoxy)butanoate
CID 63273139
5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide
CID 102983576

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(2,5-difluorophenoxy)-2-methylpentanoate?
The IUPAC name of ethyl 2-amino-5-(2,5-difluorophenoxy)-2-methylpentanoate (CID 63269809) is ethyl 2-amino-5-(2,5-difluorophenoxy)-2-methylpentanoate.
What is the SMILES notation for ethyl 2-amino-5-(2,5-difluorophenoxy)-2-methylpentanoate?
The canonical SMILES for ethyl 2-amino-5-(2,5-difluorophenoxy)-2-methylpentanoate is CCOC(=O)C(C)(N)CCCOc1cc(F)ccc1F.
What is the InChIKey of ethyl 2-amino-5-(2,5-difluorophenoxy)-2-methylpentanoate?
The InChIKey is JNMBOMFLIDPNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-3-19-13(18)14(2,17)7-4-8-20-12-9-10(15)5-6-11(12)16/h5-6,9H,3-4,7-8,17H2,1-2H3.
What are the key properties of ethyl 2-amino-5-(2,5-difluorophenoxy)-2-methylpentanoate?
ethyl 2-amino-5-(2,5-difluorophenoxy)-2-methylpentanoate has a molecular weight of 287.31 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(2,5-difluorophenoxy)-2-methylpentanoate is sourced from PubChem (CID 63269809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).