methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate

C15H17NO2 — CID 116857164

IUPACmethyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
SMILESCOC(=O)C(c1ccc2ccccc2c1)N(C)C
InChIInChI=1S/C15H17NO2/c1-16(2)14(15(17)18-3)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14H,1-3H3
InChIKeyMLVWSNPJGURXML-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.62
Rot. Bonds3

About methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate

methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate (PubChem CID 116857164) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
PubChem CID116857164
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namemethyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
SMILESCOC(=O)C(c1ccc2ccccc2c1)N(C)C
InChIInChI=1S/C15H17NO2/c1-16(2)14(15(17)18-3)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14H,1-3H3
InChIKeyMLVWSNPJGURXML-UHFFFAOYSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate
CID 29059560
dimethyl 2-[(1R)-1-naphthalen-2-ylethyl]propanedioate
CID 101238561
methyl 2-naphthalen-2-yl-3-oxopropanoate
CID 175120157
methyl 2-acetamido-2-naphthalen-2-ylacetate
CID 45100878
methyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate
CID 162623015
dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate
CID 134846640
methyl 3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361476
methyl (3R)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361475
methyl 2-[amino(naphthalen-2-yl)methyl]butanoate
CID 116946047
methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 116857134
methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate
CID 116860560
methyl 2-(dimethylamino)-2-pyridin-4-ylacetate
CID 116857149

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate?
The IUPAC name of methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate (CID 116857164) is methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate.
What is the SMILES notation for methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate?
The canonical SMILES for methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate is COC(=O)C(c1ccc2ccccc2c1)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate?
The InChIKey is MLVWSNPJGURXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16(2)14(15(17)18-3)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14H,1-3H3.
What are the key properties of methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate?
methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate has a molecular weight of 243.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate is sourced from PubChem (CID 116857164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).