(1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine

C14H16N2O2 — CID 114056631

IUPAC(1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
SMILESCOc1ccccc1Oc1ncccc1[C@H](C)N
InChIInChI=1S/C14H16N2O2/c1-10(15)11-6-5-9-16-14(11)18-13-8-4-3-7-12(13)17-2/h3-10H,15H2,1-2H3/t10-/m0/s1
InChIKeyURBLZPFBCVHJNC-JTQLQIEISA-N
MW244.29 g/mol
LogP2.90
Rot. Bonds4

About (1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine

(1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine (PubChem CID 114056631) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
PubChem CID114056631
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
SMILESCOc1ccccc1Oc1ncccc1[C@H](C)N
InChIInChI=1S/C14H16N2O2/c1-10(15)11-6-5-9-16-14(11)18-13-8-4-3-7-12(13)17-2/h3-10H,15H2,1-2H3/t10-/m0/s1
InChIKeyURBLZPFBCVHJNC-JTQLQIEISA-N
XLogP2.90
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine
CID 114056675
3-bromo-2-(2-methoxyphenoxy)pyridine
CID 61375067
(1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056639
2-(2-methoxyphenoxy)pyridine-3-carbothioamide
CID 24702703
(1S)-1-[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]ethanamine
CID 114056638
1-amino-1-(2-methoxy-3-pyridinyl)propan-2-ol
CID 55292838
(1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine
CID 103695133
2-(2-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572908
ethane;2-methoxy-3-propan-2-ylpyridine
CID 155741549
(2-methoxy-3-pyridinyl)-(2-methylphenyl)methanamine
CID 105094474
N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
CID 24711030
2-methoxy-3-[(2R)-3-methylbutan-2-yl]pyridine
CID 176962095

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine (CID 114056631) is (1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine is COc1ccccc1Oc1ncccc1[C@H](C)N.
What is the InChIKey of (1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine?
The InChIKey is URBLZPFBCVHJNC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(15)11-6-5-9-16-14(11)18-13-8-4-3-7-12(13)17-2/h3-10H,15H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine?
(1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine has a molecular weight of 244.29 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine is sourced from PubChem (CID 114056631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).