1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate

C20H19NO2 — CID 69049532

IUPAC1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate
SMILESCC(N)OC(=O)C(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H19NO2/c1-14(21)23-20(22)19(16-9-3-2-4-10-16)18-13-7-11-15-8-5-6-12-17(15)18/h2-14,19H,21H2,1H3
InChIKeyQAVFGPOOXMIVJS-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.82
Rot. Bonds4

About 1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate

1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate (PubChem CID 69049532) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate.

Molecular Properties

Compound Name1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate
PubChem CID69049532
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate
SMILESCC(N)OC(=O)C(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H19NO2/c1-14(21)23-20(22)19(16-9-3-2-4-10-16)18-13-7-11-15-8-5-6-12-17(15)18/h2-14,19H,21H2,1H3
InChIKeyQAVFGPOOXMIVJS-UHFFFAOYSA-N
XLogP3.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-amino-2-naphthalen-1-ylacetate
CID 139951095
1-naphthalen-1-ylethyl carbamate
CID 14959373
2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine
CID 158376535
ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate
CID 71517486
propan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate
CID 141464129
[(1R)-1-naphthalen-1-ylethyl] acetate
CID 13082477
methyl (2S,3S)-3-hydroxy-3-naphthalen-1-yl-2-phenylpropanoate
CID 10852177
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
dinaphthalen-1-ylmethyl 2-methyl-3-oxobutanoate
CID 102414342
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
dinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate
CID 166440080

Frequently Asked Questions

What is the IUPAC name of 1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate?
The IUPAC name of 1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate (CID 69049532) is 1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate.
What is the SMILES notation for 1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate?
The canonical SMILES for 1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate is CC(N)OC(=O)C(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate?
The InChIKey is QAVFGPOOXMIVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-14(21)23-20(22)19(16-9-3-2-4-10-16)18-13-7-11-15-8-5-6-12-17(15)18/h2-14,19H,21H2,1H3.
What are the key properties of 1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate?
1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate has a molecular weight of 305.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate is sourced from PubChem (CID 69049532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).