ethyl 3-phenoxypropanimidate

C11H15NO2 — CID 55267889

IUPACethyl 3-phenoxypropanimidate
SMILES[H]/N=C(/CCOc1ccccc1)OCC
InChIInChI=1S/C11H15NO2/c1-2-13-11(12)8-9-14-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3/b12-11-
InChIKeyDZRYWQFZIJGFFS-QXMHVHEDSA-N
MW193.25 g/mol
LogP2.47
Rot. Bonds5

About ethyl 3-phenoxypropanimidate

ethyl 3-phenoxypropanimidate (PubChem CID 55267889) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl 3-phenoxypropanimidate.

Molecular Properties

Compound Nameethyl 3-phenoxypropanimidate
PubChem CID55267889
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl 3-phenoxypropanimidate
SMILES[H]/N=C(/CCOc1ccccc1)OCC
InChIInChI=1S/C11H15NO2/c1-2-13-11(12)8-9-14-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3/b12-11-
InChIKeyDZRYWQFZIJGFFS-QXMHVHEDSA-N
XLogP2.47
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-[3-[(dimethylamino)methyl]phenoxy]pentanimidate
CID 70548179
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
ethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate
CID 21294580
ethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride
CID 20505253
propyl 3-phenoxypropanoate
CID 43389568
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767
ethyl 2-phenylsulfanylethanimidate;hydrochloride
CID 71342769
methyl 3-(3-bromophenoxy)propanimidate
CID 95465484
1-phenoxyhexan-3-one
CID 60797707
3-(4-benzylphenoxy)propanimidamide
CID 62274046
2-(2-phenoxyethoxy)ethanimidamide
CID 24689502
4-(4-ethoxyphenoxy)butanimidamide
CID 24707603

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenoxypropanimidate?
The IUPAC name of ethyl 3-phenoxypropanimidate (CID 55267889) is ethyl 3-phenoxypropanimidate.
What is the SMILES notation for ethyl 3-phenoxypropanimidate?
The canonical SMILES for ethyl 3-phenoxypropanimidate is [H]/N=C(/CCOc1ccccc1)OCC.
What is the InChIKey of ethyl 3-phenoxypropanimidate?
The InChIKey is DZRYWQFZIJGFFS-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-13-11(12)8-9-14-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3/b12-11-.
What are the key properties of ethyl 3-phenoxypropanimidate?
ethyl 3-phenoxypropanimidate has a molecular weight of 193.25 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenoxypropanimidate is sourced from PubChem (CID 55267889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).