1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine

C14H15FN2O — CID 114056793

IUPAC1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine
SMILESCc1ccc(Oc2ncccc2C(C)N)cc1F
InChIInChI=1S/C14H15FN2O/c1-9-5-6-11(8-13(9)15)18-14-12(10(2)16)4-3-7-17-14/h3-8,10H,16H2,1-2H3
InChIKeyFHMBMSQLYBWJQC-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.34
Rot. Bonds3

About 1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine

1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine (PubChem CID 114056793) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine
PubChem CID114056793
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine
SMILESCc1ccc(Oc2ncccc2C(C)N)cc1F
InChIInChI=1S/C14H15FN2O/c1-9-5-6-11(8-13(9)15)18-14-12(10(2)16)4-3-7-17-14/h3-8,10H,16H2,1-2H3
InChIKeyFHMBMSQLYBWJQC-UHFFFAOYSA-N
XLogP3.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methylphenoxy)pyridin-3-amine
CID 107168496
(1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169557
(1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol
CID 114056480
2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride
CID 107168534
1-[2-chloro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169559
(1R)-1-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 107718507
(1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine
CID 114056675
2-(3-fluorophenoxy)-3-propan-2-ylpyridine
CID 130395980
(1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056639
1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 107171083
(1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
CID 114056631
(1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 169081096

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine?
The IUPAC name of 1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine (CID 114056793) is 1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine.
What is the SMILES notation for 1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine?
The canonical SMILES for 1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine is Cc1ccc(Oc2ncccc2C(C)N)cc1F.
What is the InChIKey of 1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine?
The InChIKey is FHMBMSQLYBWJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9-5-6-11(8-13(9)15)18-14-12(10(2)16)4-3-7-17-14/h3-8,10H,16H2,1-2H3.
What are the key properties of 1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine?
1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine has a molecular weight of 246.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine is sourced from PubChem (CID 114056793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).