(1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine

C16H19FN2O — CID 103174897

IUPAC(1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine
SMILESCCc1nc(C)ccc1Oc1ccc([C@H](C)N)cc1F
InChIInChI=1S/C16H19FN2O/c1-4-14-16(7-5-10(2)19-14)20-15-8-6-12(11(3)18)9-13(15)17/h5-9,11H,4,18H2,1-3H3/t11-/m0/s1
InChIKeyRDKYYSZKKLHBLL-NSHDSACASA-N
MW274.34 g/mol
LogP3.90
Rot. Bonds4

About (1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine

(1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine (PubChem CID 103174897) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is (1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine
PubChem CID103174897
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name(1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine
SMILESCCc1nc(C)ccc1Oc1ccc([C@H](C)N)cc1F
InChIInChI=1S/C16H19FN2O/c1-4-14-16(7-5-10(2)19-14)20-15-8-6-12(11(3)18)9-13(15)17/h5-9,11H,4,18H2,1-3H3/t11-/m0/s1
InChIKeyRDKYYSZKKLHBLL-NSHDSACASA-N
XLogP3.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoro-4-methylphenyl]ethanamine
CID 103174927
1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
CID 118989596
(1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003344
(1R)-1-[4-(2-butan-2-ylphenoxy)-3-fluorophenyl]ethanamine
CID 63369801
(1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 103175174
(1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 103175145
1-[4-(2-tert-butylphenoxy)-3-fluorophenyl]ethanamine
CID 43103758
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine
CID 64719989
(1S)-1-[3-fluoro-4-(2,3,6-trimethylphenoxy)phenyl]ethanamine
CID 78938010
1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine
CID 43247772

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine (CID 103174897) is (1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine is CCc1nc(C)ccc1Oc1ccc([C@H](C)N)cc1F.
What is the InChIKey of (1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine?
The InChIKey is RDKYYSZKKLHBLL-NSHDSACASA-N. The full InChI is InChI=1S/C16H19FN2O/c1-4-14-16(7-5-10(2)19-14)20-15-8-6-12(11(3)18)9-13(15)17/h5-9,11H,4,18H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine?
(1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine has a molecular weight of 274.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine is sourced from PubChem (CID 103174897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).