N-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine

C16H20N2O — CID 66278387

IUPACN-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccncc2C)ccc1OC
InChIInChI=1S/C16H20N2O/c1-4-17-11-14-9-13(5-6-16(14)19-3)15-7-8-18-10-12(15)2/h5-10,17H,4,11H2,1-3H3
InChIKeyJEYPQEPIZHASKO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.18
Rot. Bonds5

About N-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine

N-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine (PubChem CID 66278387) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
PubChem CID66278387
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccncc2C)ccc1OC
InChIInChI=1S/C16H20N2O/c1-4-17-11-14-9-13(5-6-16(14)19-3)15-7-8-18-10-12(15)2/h5-10,17H,4,11H2,1-3H3
InChIKeyJEYPQEPIZHASKO-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine
CID 54912220
2-methoxy-5-(3-methyl-4-pyridinyl)aniline
CID 66278830
N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]ethanamine
CID 63679441
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine
CID 63428117
N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine
CID 79601552
4-methoxy-3-[[(3-methyl-4-pyridinyl)methylamino]methyl]benzonitrile
CID 114699786
N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63424666
N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine
CID 82552100
4-methoxy-3-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzonitrile
CID 114955600
2-methoxy-5-(4-methyl-3-pyridinyl)aniline
CID 66272306
4-[[2-methoxy-5-(2-methylphenyl)phenyl]methylamino]butanoic acid
CID 122035882
N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine
CID 61033040

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine (CID 66278387) is N-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine is CCNCc1cc(-c2ccncc2C)ccc1OC.
What is the InChIKey of N-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine?
The InChIKey is JEYPQEPIZHASKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-17-11-14-9-13(5-6-16(14)19-3)15-7-8-18-10-12(15)2/h5-10,17H,4,11H2,1-3H3.
What are the key properties of N-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine?
N-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 66278387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).