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

C17H20FNO — CID 43285513

IUPACN-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(Oc2ccccc2C)c(F)c1
InChIInChI=1S/C17H20FNO/c1-4-19-13(3)14-9-10-17(15(18)11-14)20-16-8-6-5-7-12(16)2/h5-11,13,19H,4H2,1-3H3
InChIKeySVQIPBURZFIQCP-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.60
Rot. Bonds5

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

N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine (PubChem CID 43285513) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine
PubChem CID43285513
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(Oc2ccccc2C)c(F)c1
InChIInChI=1S/C17H20FNO/c1-4-19-13(3)14-9-10-17(15(18)11-14)20-16-8-6-5-7-12(16)2/h5-11,13,19H,4H2,1-3H3
InChIKeySVQIPBURZFIQCP-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285404
1-[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982259
1-[4-(4-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63532281
4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile
CID 43285566
N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine
CID 43285081
2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol
CID 43284900
3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol
CID 113389475
N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 43285227
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine
CID 43285605
1-[3-(4-bromo-2-fluorophenoxy)phenyl]-N-ethylethanamine
CID 79167955
1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine
CID 43286578
N-ethyl-1-[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82787624

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine (CID 43285513) is N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine is CCNC(C)c1ccc(Oc2ccccc2C)c(F)c1.
What is the InChIKey of N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine?
The InChIKey is SVQIPBURZFIQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-19-13(3)14-9-10-17(15(18)11-14)20-16-8-6-5-7-12(16)2/h5-11,13,19H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine?
N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 43285513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).