N-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine

C17H17F2NO — CID 123505490

IUPACN-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine
SMILESC=C(NOCC)c1ccc(-c2cc(F)ccc2C)cc1F
InChIInChI=1S/C17H17F2NO/c1-4-21-20-12(3)15-8-6-13(9-17(15)19)16-10-14(18)7-5-11(16)2/h5-10,20H,3-4H2,1-2H3
InChIKeyYLISNQIAPMXUPU-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.45
Rot. Bonds5

About N-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine

N-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine (PubChem CID 123505490) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is N-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine.

Molecular Properties

Compound NameN-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine
PubChem CID123505490
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine
SMILESC=C(NOCC)c1ccc(-c2cc(F)ccc2C)cc1F
InChIInChI=1S/C17H17F2NO/c1-4-21-20-12(3)15-8-6-13(9-17(15)19)16-10-14(18)7-5-11(16)2/h5-10,20H,3-4H2,1-2H3
InChIKeyYLISNQIAPMXUPU-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 56974312
2-(4-fluorophenyl)-N-methoxy-1-phenylethenamine
CID 56985679
N-(2-bromoethoxy)-1,2-bis(2-fluorophenyl)ethenamine
CID 57042642
2-[1-[4-[4-(Trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol
CID 57068225
1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine
CID 57083862
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57099402
N-(2-bromoethoxy)-1,2-bis(4-fluorophenyl)ethenamine
CID 57110229
3-[4,4-Bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole
CID 57118295
2-[1-[4-(4-Fluorophenyl)phenyl]ethenylamino]oxyethanol
CID 57122048
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57261926
N-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine
CID 57278289
1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57317397

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine?
The IUPAC name of N-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine (CID 123505490) is N-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine.
What is the SMILES notation for N-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine?
The canonical SMILES for N-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine is C=C(NOCC)c1ccc(-c2cc(F)ccc2C)cc1F.
What is the InChIKey of N-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine?
The InChIKey is YLISNQIAPMXUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-4-21-20-12(3)15-8-6-13(9-17(15)19)16-10-14(18)7-5-11(16)2/h5-10,20H,3-4H2,1-2H3.
What are the key properties of N-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine?
N-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine has a molecular weight of 289.33 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine is sourced from PubChem (CID 123505490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).