N-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine

C17H21FN2O — CID 102880480

IUPACN-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
SMILESCCNC(C)c1cc(F)ccc1OCc1cncc(C)c1
InChIInChI=1S/C17H21FN2O/c1-4-20-13(3)16-8-15(18)5-6-17(16)21-11-14-7-12(2)9-19-10-14/h5-10,13,20H,4,11H2,1-3H3
InChIKeyLIYHEGFROHZOST-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.78
Rot. Bonds6

About N-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine

N-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine (PubChem CID 102880480) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
PubChem CID102880480
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
SMILESCCNC(C)c1cc(F)ccc1OCc1cncc(C)c1
InChIInChI=1S/C17H21FN2O/c1-4-20-13(3)16-8-15(18)5-6-17(16)21-11-14-7-12(2)9-19-10-14/h5-10,13,20H,4,11H2,1-3H3
InChIKeyLIYHEGFROHZOST-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine
CID 102880408
N-methyl-1-[5-methyl-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880374
N-ethyl-1-[5-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63934918
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
N-ethyl-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethanamine
CID 43285224
N-[(5-fluoro-2-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105176637
trifluoro-[4-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]boranuide
CID 102881804
1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine
CID 43285318
(1R)-1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881645
(1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880442
N-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112640352
N-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 43285209

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine (CID 102880480) is N-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine is CCNC(C)c1cc(F)ccc1OCc1cncc(C)c1.
What is the InChIKey of N-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine?
The InChIKey is LIYHEGFROHZOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-4-20-13(3)16-8-15(18)5-6-17(16)21-11-14-7-12(2)9-19-10-14/h5-10,13,20H,4,11H2,1-3H3.
What are the key properties of N-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine?
N-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine has a molecular weight of 288.37 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 102880480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).