N-ethyl-1-[5-(2-fluoro-4-nitrophenyl)furan-2-yl]ethanamine

C14H15FN2O3 — CID 62499240

IUPACN-ethyl-1-[5-(2-fluoro-4-nitrophenyl)furan-2-yl]ethanamine
SMILESCCNC(C)c1ccc(-c2ccc([N+](=O)[O-])cc2F)o1
InChIInChI=1S/C14H15FN2O3/c1-3-16-9(2)13-6-7-14(20-13)11-5-4-10(17(18)19)8-12(11)15/h4-9,16H,3H2,1-2H3
InChIKeyZDYXNRULSZGTMM-UHFFFAOYSA-N
MW278.28 g/mol
LogP3.66
Rot. Bonds5

About N-ethyl-1-[5-(2-fluoro-4-nitrophenyl)furan-2-yl]ethanamine

N-ethyl-1-[5-(2-fluoro-4-nitrophenyl)furan-2-yl]ethanamine (PubChem CID 62499240) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is N-ethyl-1-[5-(2-fluoro-4-nitrophenyl)furan-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(2-fluoro-4-nitrophenyl)furan-2-yl]ethanamine
PubChem CID62499240
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC NameN-ethyl-1-[5-(2-fluoro-4-nitrophenyl)furan-2-yl]ethanamine
SMILESCCNC(C)c1ccc(-c2ccc([N+](=O)[O-])cc2F)o1
InChIInChI=1S/C14H15FN2O3/c1-3-16-9(2)13-6-7-14(20-13)11-5-4-10(17(18)19)8-12(11)15/h4-9,16H,3H2,1-2H3
InChIKeyZDYXNRULSZGTMM-UHFFFAOYSA-N
XLogP3.66
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-[5-(2-fluoro-4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62164281
N-[1-[5-(2-bromo-4-nitrophenyl)furan-2-yl]ethyl]propan-1-amine
CID 62498590
N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine
CID 62499724
N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine
CID 62812039
1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine
CID 55083630
N-ethyl-3-(2-fluoro-4-nitrophenyl)pentan-2-amine
CID 55162012
1-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 62633275
2-[5-(2-fluoro-4-nitrophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65183289
N-ethyl-1-[5-(2-methoxy-4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 104784686
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine
CID 107577103
1-[5-(2-chlorophenyl)furan-2-yl]-N-ethylethanamine
CID 62499057
1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine
CID 62500358

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(2-fluoro-4-nitrophenyl)furan-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(2-fluoro-4-nitrophenyl)furan-2-yl]ethanamine (CID 62499240) is N-ethyl-1-[5-(2-fluoro-4-nitrophenyl)furan-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(2-fluoro-4-nitrophenyl)furan-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(2-fluoro-4-nitrophenyl)furan-2-yl]ethanamine is CCNC(C)c1ccc(-c2ccc([N+](=O)[O-])cc2F)o1.
What is the InChIKey of N-ethyl-1-[5-(2-fluoro-4-nitrophenyl)furan-2-yl]ethanamine?
The InChIKey is ZDYXNRULSZGTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-3-16-9(2)13-6-7-14(20-13)11-5-4-10(17(18)19)8-12(11)15/h4-9,16H,3H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(2-fluoro-4-nitrophenyl)furan-2-yl]ethanamine?
N-ethyl-1-[5-(2-fluoro-4-nitrophenyl)furan-2-yl]ethanamine has a molecular weight of 278.28 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(2-fluoro-4-nitrophenyl)furan-2-yl]ethanamine is sourced from PubChem (CID 62499240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).