ethane;N'-[3-(4-fluorophenoxy)propyl]ethanimidamide

C13H21FN2O — CID 145335762

IUPACethane;N'-[3-(4-fluorophenoxy)propyl]ethanimidamide
SMILESC/C(N)=N\CCCOc1ccc(F)cc1.CC
InChIInChI=1S/C11H15FN2O.C2H6/c1-9(13)14-7-2-8-15-11-5-3-10(12)4-6-11;1-2/h3-6H,2,7-8H2,1H3,(H2,13,14);1-2H3
InChIKeyMOQURHILHFMFMK-UHFFFAOYSA-N
MW240.32 g/mol
LogP3.00
Rot. Bonds5

About ethane;N'-[3-(4-fluorophenoxy)propyl]ethanimidamide

ethane;N'-[3-(4-fluorophenoxy)propyl]ethanimidamide (PubChem CID 145335762) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is ethane;N'-[3-(4-fluorophenoxy)propyl]ethanimidamide.

Molecular Properties

Compound Nameethane;N'-[3-(4-fluorophenoxy)propyl]ethanimidamide
PubChem CID145335762
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Nameethane;N'-[3-(4-fluorophenoxy)propyl]ethanimidamide
SMILESC/C(N)=N\CCCOc1ccc(F)cc1.CC
InChIInChI=1S/C11H15FN2O.C2H6/c1-9(13)14-7-2-8-15-11-5-3-10(12)4-6-11;1-2/h3-6H,2,7-8H2,1H3,(H2,13,14);1-2H3
InChIKeyMOQURHILHFMFMK-UHFFFAOYSA-N
XLogP3.00
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088233
2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid
CID 117067493
1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088217
4-(4-fluorophenoxy)butanamide
CID 43244704
2-[4-(4-fluorophenoxy)butyl]-1-phenylguanidine
CID 110925211
1-(3,5-dimethylphenyl)-2-[4-(4-fluorophenoxy)butyl]guanidine;hydroiodide
CID 111037157
1-cyclopropyl-3-ethyl-2-[3-(4-fluorophenoxy)propyl]guanidine;hydroiodide
CID 110988257
3-(4-fluorophenoxy)propyl carbamate
CID 154235028
4-(4-fluorophenoxy)butanethioamide
CID 24702572
4-[2-amino-2-[5-(4-fluorophenoxy)pentylimino]ethoxy]benzoic acid
CID 142221150
6-(4-fluorophenoxy)hexan-2-one
CID 43793627
1-ethyl-2-[3-(4-fluorophenoxy)propyl]-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110940231

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[3-(4-fluorophenoxy)propyl]ethanimidamide?
The IUPAC name of ethane;N'-[3-(4-fluorophenoxy)propyl]ethanimidamide (CID 145335762) is ethane;N'-[3-(4-fluorophenoxy)propyl]ethanimidamide.
What is the SMILES notation for ethane;N'-[3-(4-fluorophenoxy)propyl]ethanimidamide?
The canonical SMILES for ethane;N'-[3-(4-fluorophenoxy)propyl]ethanimidamide is C/C(N)=N\CCCOc1ccc(F)cc1.CC.
What is the InChIKey of ethane;N'-[3-(4-fluorophenoxy)propyl]ethanimidamide?
The InChIKey is MOQURHILHFMFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O.C2H6/c1-9(13)14-7-2-8-15-11-5-3-10(12)4-6-11;1-2/h3-6H,2,7-8H2,1H3,(H2,13,14);1-2H3.
What are the key properties of ethane;N'-[3-(4-fluorophenoxy)propyl]ethanimidamide?
ethane;N'-[3-(4-fluorophenoxy)propyl]ethanimidamide has a molecular weight of 240.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[3-(4-fluorophenoxy)propyl]ethanimidamide is sourced from PubChem (CID 145335762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).