methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate

C17H20N2O2 — CID 56713563

IUPACmethyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate
SMILESCOC(=O)c1cccc(CN(C)C(C)c2ccccn2)c1
InChIInChI=1S/C17H20N2O2/c1-13(16-9-4-5-10-18-16)19(2)12-14-7-6-8-15(11-14)17(20)21-3/h4-11,13H,12H2,1-3H3
InChIKeyVFVPUFKFNPLAKA-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.06
Rot. Bonds5

About methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate

methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate (PubChem CID 56713563) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate
PubChem CID56713563
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namemethyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate
SMILESCOC(=O)c1cccc(CN(C)C(C)c2ccccn2)c1
InChIInChI=1S/C17H20N2O2/c1-13(16-9-4-5-10-18-16)19(2)12-14-7-6-8-15(11-14)17(20)21-3/h4-11,13H,12H2,1-3H3
InChIKeyVFVPUFKFNPLAKA-UHFFFAOYSA-N
XLogP3.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide
CID 95224048
3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 95197031
methyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
CID 95202904
methyl 3-(1-pyridin-2-ylethylamino)benzoate
CID 43139302
(1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine
CID 95144676
(1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 97262096
3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid
CID 65063476
2-[methyl-[(1R)-1-pyridin-2-ylethyl]amino]acetic acid
CID 95935067
methyl 3-(2-benzoyl-3-oxo-3-pyridin-2-ylpropyl)benzoate
CID 71220113
methyl 3-[[(2-chloroacetyl)-methylamino]methyl]benzoate
CID 167785588
methyl 3-[[butyl(methyl)amino]methyl]benzoate
CID 78791084
3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol
CID 131894922

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate?
The IUPAC name of methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate (CID 56713563) is methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate?
The canonical SMILES for methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate is COC(=O)c1cccc(CN(C)C(C)c2ccccn2)c1.
What is the InChIKey of methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate?
The InChIKey is VFVPUFKFNPLAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(16-9-4-5-10-18-16)19(2)12-14-7-6-8-15(11-14)17(20)21-3/h4-11,13H,12H2,1-3H3.
What are the key properties of methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate?
methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate has a molecular weight of 284.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate is sourced from PubChem (CID 56713563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).