N-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine

C16H20N2O2 — CID 63985265

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine
SMILESCOCc1ccccc1CNCc1cccc(OC)n1
InChIInChI=1S/C16H20N2O2/c1-19-12-14-7-4-3-6-13(14)10-17-11-15-8-5-9-16(18-15)20-2/h3-9,17H,10-12H2,1-2H3
InChIKeyZXGFYXKAHDHCPV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.53
Rot. Bonds7

About N-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine

N-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine (PubChem CID 63985265) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine
PubChem CID63985265
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine
SMILESCOCc1ccccc1CNCc1cccc(OC)n1
InChIInChI=1S/C16H20N2O2/c1-19-12-14-7-4-3-6-13(14)10-17-11-15-8-5-9-16(18-15)20-2/h3-9,17H,10-12H2,1-2H3
InChIKeyZXGFYXKAHDHCPV-UHFFFAOYSA-N
XLogP2.53
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine (CID 63985265) is N-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine is COCc1ccccc1CNCc1cccc(OC)n1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine?
The InChIKey is ZXGFYXKAHDHCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-12-14-7-4-3-6-13(14)10-17-11-15-8-5-9-16(18-15)20-2/h3-9,17H,10-12H2,1-2H3.
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine?
N-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine has a molecular weight of 272.35 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine is sourced from PubChem (CID 63985265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).