1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine

C15H18N2O2 — CID 62288969

IUPAC1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(OCc2cccc(OC)c2)c1
InChIInChI=1S/C15H18N2O2/c1-16-10-12-6-7-17-15(9-12)19-11-13-4-3-5-14(8-13)18-2/h3-9,16H,10-11H2,1-2H3
InChIKeyLPLUDYFBEWNYOK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.39
Rot. Bonds6

About 1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine

1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine (PubChem CID 62288969) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine
PubChem CID62288969
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(OCc2cccc(OC)c2)c1
InChIInChI=1S/C15H18N2O2/c1-16-10-12-6-7-17-15(9-12)19-11-13-4-3-5-14(8-13)18-2/h3-9,16H,10-11H2,1-2H3
InChIKeyLPLUDYFBEWNYOK-UHFFFAOYSA-N
XLogP2.39
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine (CID 62288969) is 1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(OCc2cccc(OC)c2)c1.
What is the InChIKey of 1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine?
The InChIKey is LPLUDYFBEWNYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-16-10-12-6-7-17-15(9-12)19-11-13-4-3-5-14(8-13)18-2/h3-9,16H,10-11H2,1-2H3.
What are the key properties of 1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine?
1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine has a molecular weight of 258.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62288969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).