2-aminoethyl 2-naphthalen-1-ylacetate

C14H15NO2 — CID 24883481

IUPAC2-aminoethyl 2-naphthalen-1-ylacetate
SMILESNCCOC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C14H15NO2/c15-8-9-17-14(16)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,15H2
InChIKeyPDCSQCHNOPNJMK-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.88
Rot. Bonds4

About 2-aminoethyl 2-naphthalen-1-ylacetate

2-aminoethyl 2-naphthalen-1-ylacetate (PubChem CID 24883481) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-aminoethyl 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name2-aminoethyl 2-naphthalen-1-ylacetate
PubChem CID24883481
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-aminoethyl 2-naphthalen-1-ylacetate
SMILESNCCOC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C14H15NO2/c15-8-9-17-14(16)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,15H2
InChIKeyPDCSQCHNOPNJMK-UHFFFAOYSA-N
XLogP1.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-Naphthaleneacetic acid, ethyl ester
CID 62428
Methyl 1-naphthylacetate
CID 17891
Ethyl 2-naphthylacetate
CID 256821
1-Naphthaleneacetic acid, ammonium salt
CID 57376297
Methyl 2-amino-2-(naphthalen-1-yl)acetate hydrochloride
CID 11184299
1-Naphthylacetate
CID 4583824
CID 1822609
CID 1822609
Methyl 2-amino-2-(naphthalen-2-yl)acetate
CID 3507541
Ethyl 2,2-Difluoro-2-(1-naphthyl)acetate
CID 12585541
Hexyl 1-naphthylacetate
CID 587949
Butyl 1-naphthylacetate
CID 239441
1-Naphthaleneacetic acid, isobutyl ester
CID 239442

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-naphthalen-1-ylacetate?
The IUPAC name of 2-aminoethyl 2-naphthalen-1-ylacetate (CID 24883481) is 2-aminoethyl 2-naphthalen-1-ylacetate.
What is the SMILES notation for 2-aminoethyl 2-naphthalen-1-ylacetate?
The canonical SMILES for 2-aminoethyl 2-naphthalen-1-ylacetate is NCCOC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 2-aminoethyl 2-naphthalen-1-ylacetate?
The InChIKey is PDCSQCHNOPNJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c15-8-9-17-14(16)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,15H2.
What are the key properties of 2-aminoethyl 2-naphthalen-1-ylacetate?
2-aminoethyl 2-naphthalen-1-ylacetate has a molecular weight of 229.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-naphthalen-1-ylacetate is sourced from PubChem (CID 24883481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).