1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine

C15H18N2O2 — CID 83127673

IUPAC1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine
SMILESCOc1cc(C)ccc1Oc1ccc(C(C)N)nc1
InChIInChI=1S/C15H18N2O2/c1-10-4-7-14(15(8-10)18-3)19-12-5-6-13(11(2)16)17-9-12/h4-9,11H,16H2,1-3H3
InChIKeyNTBNNEAWRYKTTO-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.21
Rot. Bonds4

About 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine

1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine (PubChem CID 83127673) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine
PubChem CID83127673
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine
SMILESCOc1cc(C)ccc1Oc1ccc(C(C)N)nc1
InChIInChI=1S/C15H18N2O2/c1-10-4-7-14(15(8-10)18-3)19-12-5-6-13(11(2)16)17-9-12/h4-9,11H,16H2,1-3H3
InChIKeyNTBNNEAWRYKTTO-UHFFFAOYSA-N
XLogP3.21
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine (CID 83127673) is 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine is COc1cc(C)ccc1Oc1ccc(C(C)N)nc1.
What is the InChIKey of 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine?
The InChIKey is NTBNNEAWRYKTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-4-7-14(15(8-10)18-3)19-12-5-6-13(11(2)16)17-9-12/h4-9,11H,16H2,1-3H3.
What are the key properties of 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine?
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine has a molecular weight of 258.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83127673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).