N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine

C15H24FNO — CID 43285833

IUPACN-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine
SMILESCCNC(C)c1cc(F)ccc1OC(C)(C)CC
InChIInChI=1S/C15H24FNO/c1-6-15(4,5)18-14-9-8-12(16)10-13(14)11(3)17-7-2/h8-11,17H,6-7H2,1-5H3
InChIKeyHYCXMERNNNEQLS-UHFFFAOYSA-N
MW253.36 g/mol
LogP4.06
Rot. Bonds6

About N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine

N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine (PubChem CID 43285833) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine
PubChem CID43285833
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine
SMILESCCNC(C)c1cc(F)ccc1OC(C)(C)CC
InChIInChI=1S/C15H24FNO/c1-6-15(4,5)18-14-9-8-12(16)10-13(14)11(3)17-7-2/h8-11,17H,6-7H2,1-5H3
InChIKeyHYCXMERNNNEQLS-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethanamine
CID 43285224
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine
CID 43285318
2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane
CID 144811143
N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine
CID 43286078
N-ethyl-1-[5-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63934918
N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 107445151
2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile
CID 43285237
N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 103177883
N-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 43285209
N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
CID 63066393
1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine
CID 82953582

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine (CID 43285833) is N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine is CCNC(C)c1cc(F)ccc1OC(C)(C)CC.
What is the InChIKey of N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine?
The InChIKey is HYCXMERNNNEQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-6-15(4,5)18-14-9-8-12(16)10-13(14)11(3)17-7-2/h8-11,17H,6-7H2,1-5H3.
What are the key properties of N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine?
N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine has a molecular weight of 253.36 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine is sourced from PubChem (CID 43285833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).