ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride

C14H20ClNO2 — CID 70049815

IUPACethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride
SMILESCCOC(=O)CC1CCc2ccc(N)cc2C1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-2-17-14(16)8-10-3-4-11-5-6-13(15)9-12(11)7-10;/h5-6,9-10H,2-4,7-8,15H2,1H3;1H
InChIKeyUSOQETFXAZLLHL-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.75
Rot. Bonds3

About ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride

ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride (PubChem CID 70049815) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride
PubChem CID70049815
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Nameethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride
SMILESCCOC(=O)CC1CCc2ccc(N)cc2C1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-2-17-14(16)8-10-3-4-11-5-6-13(15)9-12(11)7-10;/h5-6,9-10H,2-4,7-8,15H2,1H3;1H
InChIKeyUSOQETFXAZLLHL-UHFFFAOYSA-N
XLogP2.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride?
The IUPAC name of ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride (CID 70049815) is ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride is CCOC(=O)CC1CCc2ccc(N)cc2C1.Cl.
What is the InChIKey of ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride?
The InChIKey is USOQETFXAZLLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-2-17-14(16)8-10-3-4-11-5-6-13(15)9-12(11)7-10;/h5-6,9-10H,2-4,7-8,15H2,1H3;1H.
What are the key properties of ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride?
ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride is sourced from PubChem (CID 70049815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).