(1R)-1-[2-(2,6-dimethyloxan-4-yl)oxy-3-pyridinyl]ethanamine

C14H22N2O2 — CID 114056769

IUPAC(1R)-1-[2-(2,6-dimethyloxan-4-yl)oxy-3-pyridinyl]ethanamine
SMILESCC1CC(Oc2ncccc2[C@@H](C)N)CC(C)O1
InChIInChI=1S/C14H22N2O2/c1-9-7-12(8-10(2)17-9)18-14-13(11(3)15)5-4-6-16-14/h4-6,9-12H,7-8,15H2,1-3H3/t9?,10?,11-,12?/m1/s1
InChIKeyJFSBUAPOIWWWHR-QDLLBCNESA-N
MW250.34 g/mol
LogP2.44
Rot. Bonds3

About (1R)-1-[2-(2,6-dimethyloxan-4-yl)oxy-3-pyridinyl]ethanamine

(1R)-1-[2-(2,6-dimethyloxan-4-yl)oxy-3-pyridinyl]ethanamine (PubChem CID 114056769) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1R)-1-[2-(2,6-dimethyloxan-4-yl)oxy-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(2,6-dimethyloxan-4-yl)oxy-3-pyridinyl]ethanamine
PubChem CID114056769
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(1R)-1-[2-(2,6-dimethyloxan-4-yl)oxy-3-pyridinyl]ethanamine
SMILESCC1CC(Oc2ncccc2[C@@H](C)N)CC(C)O1
InChIInChI=1S/C14H22N2O2/c1-9-7-12(8-10(2)17-9)18-14-13(11(3)15)5-4-6-16-14/h4-6,9-12H,7-8,15H2,1-3H3/t9?,10?,11-,12?/m1/s1
InChIKeyJFSBUAPOIWWWHR-QDLLBCNESA-N
XLogP2.44
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine
CID 103695133
2-(2,6-dimethyloxan-4-yl)oxypyridine-3-carbothioamide
CID 113369171
(1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine
CID 113369198
2-cyclopentyloxy-3-propan-2-ylpyridine
CID 164786462
1-[2-(2-ethylcyclohexyl)oxy-3-pyridinyl]ethanamine
CID 114056592
(1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
CID 114056631
2-(2,6-dimethyloxan-4-yl)oxy-3-methyl-5-propan-2-ylpyridine
CID 176666572
3-bromo-2-(3-methylcyclobutyl)oxypyridine
CID 122580795
(2S)-2-amino-2-(2-cyclopentyloxy-3-pyridinyl)ethanol
CID 131869094
(1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056639
(1S)-1-(2-methyl-3-pyridinyl)ethanamine
CID 94864826
1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056793

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2,6-dimethyloxan-4-yl)oxy-3-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[2-(2,6-dimethyloxan-4-yl)oxy-3-pyridinyl]ethanamine (CID 114056769) is (1R)-1-[2-(2,6-dimethyloxan-4-yl)oxy-3-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(2,6-dimethyloxan-4-yl)oxy-3-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(2,6-dimethyloxan-4-yl)oxy-3-pyridinyl]ethanamine is CC1CC(Oc2ncccc2[C@@H](C)N)CC(C)O1.
What is the InChIKey of (1R)-1-[2-(2,6-dimethyloxan-4-yl)oxy-3-pyridinyl]ethanamine?
The InChIKey is JFSBUAPOIWWWHR-QDLLBCNESA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-7-12(8-10(2)17-9)18-14-13(11(3)15)5-4-6-16-14/h4-6,9-12H,7-8,15H2,1-3H3/t9?,10?,11-,12?/m1/s1.
What are the key properties of (1R)-1-[2-(2,6-dimethyloxan-4-yl)oxy-3-pyridinyl]ethanamine?
(1R)-1-[2-(2,6-dimethyloxan-4-yl)oxy-3-pyridinyl]ethanamine has a molecular weight of 250.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2,6-dimethyloxan-4-yl)oxy-3-pyridinyl]ethanamine is sourced from PubChem (CID 114056769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).