methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate

C15H17NO2 — CID 116857163

IUPACmethyl 2-(dimethylamino)-2-naphthalen-1-ylacetate
SMILESCOC(=O)C(c1cccc2ccccc12)N(C)C
InChIInChI=1S/C15H17NO2/c1-16(2)14(15(17)18-3)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14H,1-3H3
InChIKeyUEGBJFRYELVEQJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.62
Rot. Bonds3

About methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate

methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate (PubChem CID 116857163) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-2-naphthalen-1-ylacetate
PubChem CID116857163
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namemethyl 2-(dimethylamino)-2-naphthalen-1-ylacetate
SMILESCOC(=O)C(c1cccc2ccccc12)N(C)C
InChIInChI=1S/C15H17NO2/c1-16(2)14(15(17)18-3)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14H,1-3H3
InChIKeyUEGBJFRYELVEQJ-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

[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane
CID 157116142
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride
CID 19963460
methyl 2-hydroxy-3-naphthalen-1-ylbutanoate
CID 66289635
methyl 3,3,3-trichloro-2-naphthalen-1-ylpropanoate
CID 174899487
methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
CID 116857164
dimethyl 2-[(1S)-1-naphthalen-1-ylprop-2-enyl]propanedioate
CID 11001003
methyl (2S,3S)-3-hydroxy-3-naphthalen-1-yl-2-phenylpropanoate
CID 10852177
methyl 3-hydroperoxy-3-naphthalen-1-ylpropanoate
CID 89115369
methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate
CID 20726922
methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate
CID 7145124

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate?
The IUPAC name of methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate (CID 116857163) is methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate.
What is the SMILES notation for methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate?
The canonical SMILES for methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate is COC(=O)C(c1cccc2ccccc12)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate?
The InChIKey is UEGBJFRYELVEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16(2)14(15(17)18-3)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14H,1-3H3.
What are the key properties of methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate?
methyl 2-(dimethylamino)-2-naphthalen-1-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-1-ylacetate is sourced from PubChem (CID 116857163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).