methyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate

C16H19NO2 — CID 115233197

IUPACmethyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate
SMILESCOC(=O)CN(C)CCc1ccc2ccccc2c1
InChIInChI=1S/C16H19NO2/c1-17(12-16(18)19-2)10-9-13-7-8-14-5-3-4-6-15(14)11-13/h3-8,11H,9-10,12H2,1-2H3
InChIKeyWQHYMIALIYRLIJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.49
Rot. Bonds5

About methyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate

methyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate (PubChem CID 115233197) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate
PubChem CID115233197
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namemethyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate
SMILESCOC(=O)CN(C)CCc1ccc2ccccc2c1
InChIInChI=1S/C16H19NO2/c1-17(12-16(18)19-2)10-9-13-7-8-14-5-3-4-6-15(14)11-13/h3-8,11H,9-10,12H2,1-2H3
InChIKeyWQHYMIALIYRLIJ-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(2-naphthalen-2-ylethyl)amino]ethanol
CID 113236296
2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol
CID 115224440
methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate
CID 61031185
methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate
CID 115233172
methyl 2-[methyl(3-phenylpropyl)amino]acetate
CID 60697820
(E)-4-[methyl(2-naphthalen-2-ylethyl)amino]but-2-enoic acid
CID 115237385
1-N-methyl-1-N-(2-naphthalen-2-ylethyl)propane-1,2-diamine
CID 115197005
methyl 3-[methyl-[2-(3-methylphenyl)ethyl]amino]propanoate
CID 115232585
methyl 3-[2-(3,4-difluorophenyl)ethyl-methylamino]propanoate
CID 115232572
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
N-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 8555397
ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate
CID 115257572

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate (CID 115233197) is methyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate is COC(=O)CN(C)CCc1ccc2ccccc2c1.
What is the InChIKey of methyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate?
The InChIKey is WQHYMIALIYRLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17(12-16(18)19-2)10-9-13-7-8-14-5-3-4-6-15(14)11-13/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of methyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate?
methyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate has a molecular weight of 257.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate is sourced from PubChem (CID 115233197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).