N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine

C17H20FNO — CID 43279629

IUPACN-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccccc1OCc1ccccc1F
InChIInChI=1S/C17H20FNO/c1-3-19-13(2)15-9-5-7-11-17(15)20-12-14-8-4-6-10-16(14)18/h4-11,13,19H,3,12H2,1-2H3
InChIKeyLGOQWOHZUIVHCO-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.08
Rot. Bonds6

About N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine

N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 43279629) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID43279629
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccccc1OCc1ccccc1F
InChIInChI=1S/C17H20FNO/c1-3-19-13(2)15-9-5-7-11-17(15)20-12-14-8-4-6-10-16(14)18/h4-11,13,19H,3,12H2,1-2H3
InChIKeyLGOQWOHZUIVHCO-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine (CID 43279629) is N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine is CCNC(C)c1ccccc1OCc1ccccc1F.
What is the InChIKey of N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is LGOQWOHZUIVHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-19-13(2)15-9-5-7-11-17(15)20-12-14-8-4-6-10-16(14)18/h4-11,13,19H,3,12H2,1-2H3.
What are the key properties of N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine?
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 43279629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).