(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine

C14H16N2O — CID 67245959

IUPAC(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine
SMILESCOc1ncccc1-c1ccc([C@@H](C)N)cc1
InChIInChI=1S/C14H16N2O/c1-10(15)11-5-7-12(8-6-11)13-4-3-9-16-14(13)17-2/h3-10H,15H2,1-2H3/t10-/m1/s1
InChIKeyYKCNANBLLZASGN-SNVBAGLBSA-N
MW228.29 g/mol
LogP2.78
Rot. Bonds3

About (1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine

(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine (PubChem CID 67245959) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine
PubChem CID67245959
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine
SMILESCOc1ncccc1-c1ccc([C@@H](C)N)cc1
InChIInChI=1S/C14H16N2O/c1-10(15)11-5-7-12(8-6-11)13-4-3-9-16-14(13)17-2/h3-10H,15H2,1-2H3/t10-/m1/s1
InChIKeyYKCNANBLLZASGN-SNVBAGLBSA-N
XLogP2.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine (CID 67245959) is (1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine is COc1ncccc1-c1ccc([C@@H](C)N)cc1.
What is the InChIKey of (1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine?
The InChIKey is YKCNANBLLZASGN-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10(15)11-5-7-12(8-6-11)13-4-3-9-16-14(13)17-2/h3-10H,15H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine?
(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine has a molecular weight of 228.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine is sourced from PubChem (CID 67245959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).