N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine

C15H18N2O — CID 63943697

IUPACN-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Oc2ccc(C)nc2)c1
InChIInChI=1S/C15H18N2O/c1-3-16-10-13-5-4-6-14(9-13)18-15-8-7-12(2)17-11-15/h4-9,11,16H,3,10H2,1-2H3
InChIKeyBJGFFWYPQGGTIK-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.29
Rot. Bonds5

About N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine

N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine (PubChem CID 63943697) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
PubChem CID63943697
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Oc2ccc(C)nc2)c1
InChIInChI=1S/C15H18N2O/c1-3-16-10-13-5-4-6-14(9-13)18-15-8-7-12(2)17-11-15/h4-9,11,16H,3,10H2,1-2H3
InChIKeyBJGFFWYPQGGTIK-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 63942314
N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 63942334
N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine
CID 63157691
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139
N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296868
[3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol
CID 62129324
N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 62073087
ethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol
CID 177219239
N-methyl-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 55031360
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849949

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine (CID 63943697) is N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine is CCNCc1cccc(Oc2ccc(C)nc2)c1.
What is the InChIKey of N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine?
The InChIKey is BJGFFWYPQGGTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-16-10-13-5-4-6-14(9-13)18-15-8-7-12(2)17-11-15/h4-9,11,16H,3,10H2,1-2H3.
What are the key properties of N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine?
N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine has a molecular weight of 242.32 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 63943697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).