methyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate

C16H18N2O2 — CID 62322853

IUPACmethyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNCc1cccc(C)n1
InChIInChI=1S/C16H18N2O2/c1-12-6-5-8-14(18-12)11-17-10-13-7-3-4-9-15(13)16(19)20-2/h3-9,17H,10-11H2,1-2H3
InChIKeyDWBTULAUTKVIJH-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.47
Rot. Bonds5

About methyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate

methyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate (PubChem CID 62322853) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate
PubChem CID62322853
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNCc1cccc(C)n1
InChIInChI=1S/C16H18N2O2/c1-12-6-5-8-14(18-12)11-17-10-13-7-3-4-9-15(13)16(19)20-2/h3-9,17H,10-11H2,1-2H3
InChIKeyDWBTULAUTKVIJH-UHFFFAOYSA-N
XLogP2.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 62390547
methyl 3-bromo-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate
CID 102766635
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate
CID 170119871
1-(2-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60961132
methyl 2-[(2-methylsulfanylethylamino)methyl]benzoate
CID 63981770
methyl 2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]benzoate
CID 63981055
methyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate
CID 62524358
methyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate
CID 61281603
methyl 2-[(2-aminoethylamino)methyl]benzoate
CID 60889481
methyl 2-[[(4-bromophenyl)methylamino]methyl]benzoate
CID 60781352
methyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate
CID 79623760

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate?
The IUPAC name of methyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate (CID 62322853) is methyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate?
The canonical SMILES for methyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate is COC(=O)c1ccccc1CNCc1cccc(C)n1.
What is the InChIKey of methyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate?
The InChIKey is DWBTULAUTKVIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-6-5-8-14(18-12)11-17-10-13-7-3-4-9-15(13)16(19)20-2/h3-9,17H,10-11H2,1-2H3.
What are the key properties of methyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate?
methyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate has a molecular weight of 270.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate is sourced from PubChem (CID 62322853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).