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

C16H23NO2 — CID 65234108

IUPACethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate
SMILESCCNC1(CC(=O)OCC)CCCc2ccccc21
InChIInChI=1S/C16H23NO2/c1-3-17-16(12-15(18)19-4-2)11-7-9-13-8-5-6-10-14(13)16/h5-6,8,10,17H,3-4,7,9,11-12H2,1-2H3
InChIKeyQBEMJASHUTXVCW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.78
Rot. Bonds5

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

ethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate (PubChem CID 65234108) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate
PubChem CID65234108
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate
SMILESCCNC1(CC(=O)OCC)CCCc2ccccc21
InChIInChI=1S/C16H23NO2/c1-3-17-16(12-15(18)19-4-2)11-7-9-13-8-5-6-10-14(13)16/h5-6,8,10,17H,3-4,7,9,11-12H2,1-2H3
InChIKeyQBEMJASHUTXVCW-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate?
The IUPAC name of ethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate (CID 65234108) is ethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate?
The canonical SMILES for ethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate is CCNC1(CC(=O)OCC)CCCc2ccccc21.
What is the InChIKey of ethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate?
The InChIKey is QBEMJASHUTXVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-17-16(12-15(18)19-4-2)11-7-9-13-8-5-6-10-14(13)16/h5-6,8,10,17H,3-4,7,9,11-12H2,1-2H3.
What are the key properties of ethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate?
ethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate has a molecular weight of 261.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate is sourced from PubChem (CID 65234108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).