ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate

C16H23NO2 — CID 54917644

IUPACethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate
SMILESCCOC(=O)CNC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NO2/c1-3-19-16(18)11-17-12(2)14-9-8-13-6-4-5-7-15(13)10-14/h8-10,12,17H,3-7,11H2,1-2H3
InChIKeyNWBKRDJCDDKMAX-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.78
Rot. Bonds5

About ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate

ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate (PubChem CID 54917644) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate
PubChem CID54917644
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate
SMILESCCOC(=O)CNC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NO2/c1-3-19-16(18)11-17-12(2)14-9-8-13-6-4-5-7-15(13)10-14/h8-10,12,17H,3-7,11H2,1-2H3
InChIKeyNWBKRDJCDDKMAX-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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Related Compounds

N,N-dimethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide
CID 43214735
2,2-dimethyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 103917195
ethyl 2-(1-naphthalen-2-ylethylamino)acetate
CID 60680493
ethyl 2-[[(1S)-1-(3-bromophenyl)ethyl]amino]acetate
CID 81382026
ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 164900857
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
(2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide
CID 61180622
N,2,2-trimethyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 103917282
(3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide
CID 124596642
ethyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate
CID 54921228
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide
CID 114153528
ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 54927474

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate?
The IUPAC name of ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate (CID 54917644) is ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate.
What is the SMILES notation for ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate?
The canonical SMILES for ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate is CCOC(=O)CNC(C)c1ccc2c(c1)CCCC2.
What is the InChIKey of ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate?
The InChIKey is NWBKRDJCDDKMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-19-16(18)11-17-12(2)14-9-8-13-6-4-5-7-15(13)10-14/h8-10,12,17H,3-7,11H2,1-2H3.
What are the key properties of ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate?
ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]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-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate is sourced from PubChem (CID 54917644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).