N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine

C15H18N2O — CID 79268111

IUPACN-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
SMILESCNCc1cccc(OCc2cccc(C)n2)c1
InChIInChI=1S/C15H18N2O/c1-12-5-3-7-14(17-12)11-18-15-8-4-6-13(9-15)10-16-2/h3-9,16H,10-11H2,1-2H3
InChIKeyBMBJAWJLYVQDPZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.69
Rot. Bonds5

About N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine

N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine (PubChem CID 79268111) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
PubChem CID79268111
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
SMILESCNCc1cccc(OCc2cccc(C)n2)c1
InChIInChI=1S/C15H18N2O/c1-12-5-3-7-14(17-12)11-18-15-8-4-6-13(9-15)10-16-2/h3-9,16H,10-11H2,1-2H3
InChIKeyBMBJAWJLYVQDPZ-UHFFFAOYSA-N
XLogP2.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine (CID 79268111) is N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine is CNCc1cccc(OCc2cccc(C)n2)c1.
What is the InChIKey of N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine?
The InChIKey is BMBJAWJLYVQDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-5-3-7-14(17-12)11-18-15-8-4-6-13(9-15)10-16-2/h3-9,16H,10-11H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine?
N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine has a molecular weight of 242.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 79268111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).