[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine

C14H16N2O2 — CID 69143790

IUPAC[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine
SMILESCOc1cc(OCc2cccnc2)ccc1CN
InChIInChI=1S/C14H16N2O2/c1-17-14-7-13(5-4-12(14)8-15)18-10-11-3-2-6-16-9-11/h2-7,9H,8,10,15H2,1H3
InChIKeyDCOBBTWVNOZYAV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.13
Rot. Bonds5

About [2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine

[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine (PubChem CID 69143790) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is [2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine
PubChem CID69143790
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine
SMILESCOc1cc(OCc2cccnc2)ccc1CN
InChIInChI=1S/C14H16N2O2/c1-17-14-7-13(5-4-12(14)8-15)18-10-11-3-2-6-16-9-11/h2-7,9H,8,10,15H2,1H3
InChIKeyDCOBBTWVNOZYAV-UHFFFAOYSA-N
XLogP2.13
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine?
The IUPAC name of [2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine (CID 69143790) is [2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine is COc1cc(OCc2cccnc2)ccc1CN.
What is the InChIKey of [2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine?
The InChIKey is DCOBBTWVNOZYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-14-7-13(5-4-12(14)8-15)18-10-11-3-2-6-16-9-11/h2-7,9H,8,10,15H2,1H3.
What are the key properties of [2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine?
[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine has a molecular weight of 244.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 69143790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).