1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine

C15H17FN2O — CID 107715801

IUPAC1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
SMILESCc1cncc(COc2ccc(C(C)N)c(F)c2)c1
InChIInChI=1S/C15H17FN2O/c1-10-5-12(8-18-7-10)9-19-13-3-4-14(11(2)17)15(16)6-13/h3-8,11H,9,17H2,1-2H3
InChIKeyWVTMNKIIKZOUOD-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.13
Rot. Bonds4

About 1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine

1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine (PubChem CID 107715801) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
PubChem CID107715801
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
SMILESCc1cncc(COc2ccc(C(C)N)c(F)c2)c1
InChIInChI=1S/C15H17FN2O/c1-10-5-12(8-18-7-10)9-19-13-3-4-14(11(2)17)15(16)6-13/h3-8,11H,9,17H2,1-2H3
InChIKeyWVTMNKIIKZOUOD-UHFFFAOYSA-N
XLogP3.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107718705
(1R)-1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107718139
1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107716098
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718926
(1R)-1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718357
1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 107715958
3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine
CID 107171333
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 107718259
1-[4-[(4-ethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107715998
(1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880442
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718633

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine (CID 107715801) is 1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine is Cc1cncc(COc2ccc(C(C)N)c(F)c2)c1.
What is the InChIKey of 1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine?
The InChIKey is WVTMNKIIKZOUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-5-12(8-18-7-10)9-19-13-3-4-14(11(2)17)15(16)6-13/h3-8,11H,9,17H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine?
1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine has a molecular weight of 260.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 107715801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).