(1R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoro-4-methylphenyl]ethanamine

C17H21FN2O — CID 103174927

IUPAC(1R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoro-4-methylphenyl]ethanamine
SMILESCCc1nc(C)ccc1Oc1cc(C)c(F)cc1[C@@H](C)N
InChIInChI=1S/C17H21FN2O/c1-5-15-16(7-6-11(3)20-15)21-17-8-10(2)14(18)9-13(17)12(4)19/h6-9,12H,5,19H2,1-4H3/t12-/m1/s1
InChIKeyYCGMGVJVWYSZPY-GFCCVEGCSA-N
MW288.37 g/mol
LogP4.21
Rot. Bonds4

About (1R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoro-4-methylphenyl]ethanamine

(1R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoro-4-methylphenyl]ethanamine (PubChem CID 103174927) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is (1R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoro-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoro-4-methylphenyl]ethanamine
PubChem CID103174927
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name(1R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoro-4-methylphenyl]ethanamine
SMILESCCc1nc(C)ccc1Oc1cc(C)c(F)cc1[C@@H](C)N
InChIInChI=1S/C17H21FN2O/c1-5-15-16(7-6-11(3)20-15)21-17-8-10(2)14(18)9-13(17)12(4)19/h6-9,12H,5,19H2,1-4H3/t12-/m1/s1
InChIKeyYCGMGVJVWYSZPY-GFCCVEGCSA-N
XLogP4.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine
CID 103174897
[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-methylphenyl]methanamine
CID 107926557
[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine
CID 103174316
3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine
CID 114065574
3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine
CID 103175217
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,3,5,6-tetrafluoropyridine
CID 103174614
[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]methanamine
CID 103174319
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 103176295
(1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 103175145
(1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 103175174
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide
CID 103174866
3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine
CID 103175228

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoro-4-methylphenyl]ethanamine?
The IUPAC name of (1R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoro-4-methylphenyl]ethanamine (CID 103174927) is (1R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoro-4-methylphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoro-4-methylphenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoro-4-methylphenyl]ethanamine is CCc1nc(C)ccc1Oc1cc(C)c(F)cc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoro-4-methylphenyl]ethanamine?
The InChIKey is YCGMGVJVWYSZPY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-5-15-16(7-6-11(3)20-15)21-17-8-10(2)14(18)9-13(17)12(4)19/h6-9,12H,5,19H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoro-4-methylphenyl]ethanamine?
(1R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoro-4-methylphenyl]ethanamine has a molecular weight of 288.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoro-4-methylphenyl]ethanamine is sourced from PubChem (CID 103174927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).