N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine

C15H22FNO — CID 107717423

IUPACN-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
SMILESC=C(C)CCOc1ccc(C(C)NCC)c(F)c1
InChIInChI=1S/C15H22FNO/c1-5-17-12(4)14-7-6-13(10-15(14)16)18-9-8-11(2)3/h6-7,10,12,17H,2,5,8-9H2,1,3-4H3
InChIKeyPUEZPNXDJBDQDD-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.84
Rot. Bonds7

About N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine

N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine (PubChem CID 107717423) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
PubChem CID107717423
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
SMILESC=C(C)CCOc1ccc(C(C)NCC)c(F)c1
InChIInChI=1S/C15H22FNO/c1-5-17-12(4)14-7-6-13(10-15(14)16)18-9-8-11(2)3/h6-7,10,12,17H,2,5,8-9H2,1,3-4H3
InChIKeyPUEZPNXDJBDQDD-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine
CID 107717524
2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 107717208
1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol
CID 107717321
3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]butan-2-ol
CID 107717129
methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate
CID 107717592
1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine
CID 107717175
1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine
CID 107717512
N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 107717110
1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene
CID 114472666
N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine
CID 107717673
N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide
CID 107717501
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 97358724

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine (CID 107717423) is N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine is C=C(C)CCOc1ccc(C(C)NCC)c(F)c1.
What is the InChIKey of N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine?
The InChIKey is PUEZPNXDJBDQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-5-17-12(4)14-7-6-13(10-15(14)16)18-9-8-11(2)3/h6-7,10,12,17H,2,5,8-9H2,1,3-4H3.
What are the key properties of N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine?
N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine is sourced from PubChem (CID 107717423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).