methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate

C18H21NO2 — CID 60646503

IUPACmethyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)Cc2ccccc2C)cc1
InChIInChI=1S/C18H21NO2/c1-14-6-4-5-7-17(14)13-19(2)12-15-8-10-16(11-9-15)18(20)21-3/h4-11H,12-13H2,1-3H3
InChIKeyMLOPSVJKIMQZMT-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.41
Rot. Bonds5

About methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate

methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate (PubChem CID 60646503) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate
PubChem CID60646503
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namemethyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)Cc2ccccc2C)cc1
InChIInChI=1S/C18H21NO2/c1-14-6-4-5-7-17(14)13-19(2)12-15-8-10-16(11-9-15)18(20)21-3/h4-11H,12-13H2,1-3H3
InChIKeyMLOPSVJKIMQZMT-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
CID 9368938
methyl 4-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]benzoate
CID 55703451
methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 18189793
methyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]benzoate
CID 55025135
methyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 43216141
methyl 4-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]benzoate
CID 62013375
methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate
CID 36776245
methyl 4-[[methyl(methylsulfonyl)amino]methyl]benzoate
CID 54485631
1-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650805
methyl 4-[[methyl-[(2-methyltriazol-4-yl)methyl]amino]methyl]benzoate
CID 167793775
methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate
CID 108899743
methyl 4-[(dimethylamino)methyl]-3-methylbenzoate
CID 69299966

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate (CID 60646503) is methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate is COC(=O)c1ccc(CN(C)Cc2ccccc2C)cc1.
What is the InChIKey of methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate?
The InChIKey is MLOPSVJKIMQZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14-6-4-5-7-17(14)13-19(2)12-15-8-10-16(11-9-15)18(20)21-3/h4-11H,12-13H2,1-3H3.
What are the key properties of methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate?
methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate has a molecular weight of 283.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate is sourced from PubChem (CID 60646503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).