ethyl 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetate

C15H21NO2 — CID 65236228

IUPACethyl 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetate
SMILESCCOC(=O)CC1(NC)CCc2ccccc2C1
InChIInChI=1S/C15H21NO2/c1-3-18-14(17)11-15(16-2)9-8-12-6-4-5-7-13(12)10-15/h4-7,16H,3,8-11H2,1-2H3
InChIKeyBYJGNBMGPCRPPM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.09
Rot. Bonds4

About ethyl 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetate

ethyl 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetate (PubChem CID 65236228) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetate
PubChem CID65236228
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetate
SMILESCCOC(=O)CC1(NC)CCc2ccccc2C1
InChIInChI=1S/C15H21NO2/c1-3-18-14(17)11-15(16-2)9-8-12-6-4-5-7-13(12)10-15/h4-7,16H,3,8-11H2,1-2H3
InChIKeyBYJGNBMGPCRPPM-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide
CID 65236290
ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 94425197
2-[2-(ethylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide
CID 65233946
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
ethyl 2-[4,4-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65236678
ethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 65234108
benzyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240649
ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 125113228
ethyl 2-[4-(methylamino)oxepan-4-yl]acetate
CID 65236733
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
ethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate
CID 79849161
ethyl 2-[3-(benzylamino)thietan-3-yl]acetate
CID 90202528

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetate?
The IUPAC name of ethyl 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetate (CID 65236228) is ethyl 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetate?
The canonical SMILES for ethyl 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetate is CCOC(=O)CC1(NC)CCc2ccccc2C1.
What is the InChIKey of ethyl 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetate?
The InChIKey is BYJGNBMGPCRPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-18-14(17)11-15(16-2)9-8-12-6-4-5-7-13(12)10-15/h4-7,16H,3,8-11H2,1-2H3.
What are the key properties of ethyl 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetate?
ethyl 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetate has a molecular weight of 247.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetate is sourced from PubChem (CID 65236228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).