methyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate

C15H22N2O3 — CID 79083227

IUPACmethyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNCC1CN(C)CCO1
InChIInChI=1S/C15H22N2O3/c1-17-7-8-20-13(11-17)10-16-9-12-5-3-4-6-14(12)15(18)19-2/h3-6,13,16H,7-11H2,1-2H3
InChIKeyFXICIPNONSTUIC-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.89
Rot. Bonds5

About methyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate

methyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate (PubChem CID 79083227) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate
PubChem CID79083227
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNCC1CN(C)CCO1
InChIInChI=1S/C15H22N2O3/c1-17-7-8-20-13(11-17)10-16-9-12-5-3-4-6-14(12)15(18)19-2/h3-6,13,16H,7-11H2,1-2H3
InChIKeyFXICIPNONSTUIC-UHFFFAOYSA-N
XLogP0.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124542983
3-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,2-diol
CID 79083126
N-[(2-ethoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943123
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide
CID 114399817
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol
CID 78943189
N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79749259
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 119123092
N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95334871
2-(2-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 49093905
[5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 79032869
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzamide
CID 71933164

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate?
The IUPAC name of methyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate (CID 79083227) is methyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate?
The canonical SMILES for methyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate is COC(=O)c1ccccc1CNCC1CN(C)CCO1.
What is the InChIKey of methyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate?
The InChIKey is FXICIPNONSTUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17-7-8-20-13(11-17)10-16-9-12-5-3-4-6-14(12)15(18)19-2/h3-6,13,16H,7-11H2,1-2H3.
What are the key properties of methyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate?
methyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate has a molecular weight of 278.35 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate is sourced from PubChem (CID 79083227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).