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

C16H20N2O — CID 62390689

IUPACN-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
SMILESCCc1ccccc1CNCc1ccc(OC)nc1
InChIInChI=1S/C16H20N2O/c1-3-14-6-4-5-7-15(14)12-17-10-13-8-9-16(19-2)18-11-13/h4-9,11,17H,3,10,12H2,1-2H3
InChIKeyJNOQUULYRJVTLP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.94
Rot. Bonds6

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

N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine (PubChem CID 62390689) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
PubChem CID62390689
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
SMILESCCc1ccccc1CNCc1ccc(OC)nc1
InChIInChI=1S/C16H20N2O/c1-3-14-6-4-5-7-15(14)12-17-10-13-8-9-16(19-2)18-11-13/h4-9,11,17H,3,10,12H2,1-2H3
InChIKeyJNOQUULYRJVTLP-UHFFFAOYSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 28712735
1-(4-ethylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64680912
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 54977668
(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317
2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936614
3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103250605
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
N-ethyl-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62990480
N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 66161046
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
1-N-[(6-methoxy-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 114936683
N-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine
CID 115685988

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine (CID 62390689) is N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine is CCc1ccccc1CNCc1ccc(OC)nc1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
The InChIKey is JNOQUULYRJVTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-14-6-4-5-7-15(14)12-17-10-13-8-9-16(19-2)18-11-13/h4-9,11,17H,3,10,12H2,1-2H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine has a molecular weight of 256.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 62390689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).